data_2eq2_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 2eq2 _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 ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.259 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -113.52 -27.51 7.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.2 129.74 28.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.1 t -53.71 128.63 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.54 -26.52 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -52.22 -54.92 24.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.1 p -106.91 -27.6 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.24 50.46 2.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -121.87 134.57 54.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -111.88 156.39 22.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -133.84 149.85 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.8 p -54.96 -46.14 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -122.65 146.38 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 9.3 p -62.01 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.2 t -52.35 -61.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -60.83 -31.64 71.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 31.1 tp -64.58 -39.24 93.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.02 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -73.27 -33.39 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -59.49 -34.12 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.34 -22.63 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -51.84 -45.74 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.71 -30.25 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.76 0.233 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -112.63 -27.75 8.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -51.99 126.76 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.0 117.88 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -96.08 -25.4 15.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -52.0 -46.62 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.65 -26.62 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 98.29 37.68 4.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.02 137.23 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -122.49 162.87 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -146.77 170.17 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 63.0 p -72.95 -46.18 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -123.91 149.79 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 12.2 p -65.84 -25.39 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.8 t -53.17 -50.24 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -72.21 -30.73 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.36 -39.5 90.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.4 64.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -79.04 -26.16 43.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -72.91 -35.69 67.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -58.19 -22.81 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -51.82 -43.45 63.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.0 m -53.02 -30.26 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.806 0.253 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -108.47 -28.16 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -52.07 130.05 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 45.2 t -52.13 130.34 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -105.52 -26.19 12.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -52.18 -48.32 65.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.3 p -114.48 -26.39 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 96.94 40.77 3.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.85 137.09 42.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -123.86 159.29 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -141.98 164.74 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 65.6 m -73.31 -28.65 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -138.1 147.92 44.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.5 p -63.02 -25.49 68.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 44.6 t -52.5 -55.98 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.43 81.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 24.4 tp -59.31 -40.4 86.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.31 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.32 -34.86 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -61.01 -32.43 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.52 -22.44 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -51.81 -47.17 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.66 -30.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.781 0.242 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -116.62 -31.6 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -52.07 128.45 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.04 137.57 27.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -110.58 -26.46 9.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.17 -48.79 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.2 p -116.47 -26.19 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.21 60.73 1.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -130.43 130.49 44.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -105.39 163.69 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.18 157.1 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.1 m -57.51 -34.51 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -142.03 155.65 45.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 4.6 p -68.12 -25.35 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.4 t -52.44 -52.41 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.22 -31.06 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.49 -41.3 89.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.57 -37.53 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -73.58 -35.32 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -60.7 -32.07 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -58.55 -22.45 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.1 m -51.66 -30.24 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.822 0.259 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -114.4 -27.05 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -52.02 121.13 6.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 t -52.41 117.92 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -93.39 -26.17 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.1 -43.42 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 27.4 p -116.75 -26.98 6.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.43 39.46 5.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -110.31 156.37 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -132.57 155.15 49.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -134.08 144.24 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.6 t -57.67 -27.53 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -134.42 143.86 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 5.3 p -69.05 -25.44 64.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.79 -55.8 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -66.15 -32.79 74.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 29.4 tp -60.13 -41.19 92.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.93 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -73.49 -33.32 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -64.78 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -58.54 -22.35 55.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -51.93 -47.43 64.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.64 -30.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.781 0.242 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -116.2 -26.46 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -52.02 124.51 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 32.9 t -51.99 115.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -90.03 -26.04 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -52.04 -43.79 63.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.76 -28.27 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.13 45.29 3.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -115.69 158.26 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -134.08 160.84 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.54 157.26 46.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 6.6 t -52.67 -40.28 62.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -136.46 169.59 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.87 -25.18 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.2 p -52.12 -59.04 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -64.28 -34.86 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.02 -41.0 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.18 62.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -57.04 -32.08 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.61 -22.37 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -51.88 -47.57 64.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.7 -30.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.752 0.23 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -115.63 -27.22 7.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -51.97 131.47 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 49.6 t -52.0 129.35 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -105.07 -26.13 12.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -52.05 -46.3 65.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.65 -27.1 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.74 47.76 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -116.26 134.22 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -116.97 145.6 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -125.13 179.79 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 11.1 p -69.2 -70.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -105.37 159.25 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.5 p -65.08 -25.63 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.6 t -53.79 -71.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -52.24 -35.18 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.37 -40.79 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -58.06 -31.66 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -75.01 -26.78 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -73.26 -36.05 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.51 -22.46 55.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -51.82 -47.71 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.1 m -51.66 -30.18 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.818 0.258 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -111.48 -30.22 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -52.07 128.25 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 38.1 t -52.32 122.1 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -98.21 -26.13 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.04 -45.46 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -115.0 -26.59 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.79 57.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -132.66 129.75 39.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -109.66 129.63 55.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.89 165.01 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 54.5 m -62.64 -59.31 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -111.17 150.42 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 11.0 p -64.61 -25.15 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.1 p -53.54 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -58.05 -38.69 76.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 26.6 tp -53.97 -45.56 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.75 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -74.2 -32.12 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -58.56 -22.39 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -51.88 -47.94 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.68 -30.1 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.807 0.253 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -108.45 -27.51 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -52.06 129.8 28.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.0 126.82 19.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -102.81 -25.95 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -51.97 -45.9 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.2 p -116.46 -26.25 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.16 49.63 2.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -120.52 132.04 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -110.54 163.03 14.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.45 162.77 34.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 23.3 m -69.02 -33.01 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -136.44 159.74 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.3 p -75.22 -26.36 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.2 t -52.44 -58.63 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -65.2 -40.6 94.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.7 tp -51.93 -43.55 63.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.94 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.27 -27.66 56.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -70.35 -33.15 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -58.61 -22.39 56.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -51.83 -47.82 64.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.74 -30.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.768 0.237 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -106.35 -26.35 11.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -52.01 130.06 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.0 135.36 30.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -108.38 -26.51 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.15 -55.44 20.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 25.3 p -106.86 -27.39 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.02 67.63 1.26 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -143.57 124.29 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -101.8 152.14 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -124.45 177.38 5.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 10.2 p -67.08 -53.92 26.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.65 161.87 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 45.2 p -69.68 -25.42 63.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.3 p -52.2 -59.0 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -66.34 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.66 -39.88 92.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.95 -39.63 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.12 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -70.08 -34.4 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.5 -22.42 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -51.8 -46.75 64.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -52.39 -30.29 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.806 0.252 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.77 -27.12 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -52.15 128.29 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.7 130.68 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -105.88 -26.16 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.03 -46.09 64.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.4 -26.22 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.24 66.56 1.16 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -138.75 124.5 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -103.56 157.33 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -135.75 151.58 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 37.1 t -58.59 -39.38 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.91 145.43 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 22.6 p -62.56 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.7 t -52.29 -47.39 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -74.92 -29.01 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.1 tp -63.68 -39.48 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.48 66.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -73.55 -29.98 62.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -68.09 -30.66 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.65 -22.3 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -51.92 -47.59 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -52.04 -29.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.793 0.247 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -107.05 -27.26 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -52.05 124.0 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 30.9 t -51.93 115.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.94 -45.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 19.7 p -116.52 -26.12 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.33 64.39 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.45 136.53 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -119.83 139.41 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -116.07 158.71 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 9.4 p -61.76 -38.7 88.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -132.2 150.36 52.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 16.7 p -66.52 -25.17 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 11.4 m -52.54 -56.15 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -68.94 -36.99 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.96 -43.85 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.36 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -70.8 -26.88 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -58.54 -22.38 55.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -51.84 -47.24 64.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.1 m -51.68 -30.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.795 0.248 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -111.45 -26.35 9.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -51.96 129.22 26.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.06 132.08 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -106.18 -26.19 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -52.09 -45.52 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.2 -26.32 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.45 64.65 1.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -137.18 133.36 35.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -114.11 153.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -128.19 172.59 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 16.5 m -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -143.19 -177.41 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.9 p -86.98 -26.3 23.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 21.1 m -52.18 -45.76 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -79.81 -33.6 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 31.2 tp -55.24 -40.43 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.82 -33.67 56.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -74.65 -34.31 62.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -64.71 -29.02 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.61 -22.32 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -51.84 -46.99 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.2 m -52.65 -28.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.77 0.238 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -107.84 -26.95 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.08 127.11 20.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.06 124.69 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -101.71 -26.0 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -52.06 -45.41 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 24.2 p -116.55 -26.27 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.74 61.25 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -134.91 131.77 37.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -109.54 153.08 24.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.91 165.87 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 57.2 m -63.03 -45.53 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -126.68 165.45 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.6 p -76.52 -25.2 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.4 m -54.29 -67.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.61 -36.6 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 31.0 tp -57.1 -45.62 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.55 -33.0 53.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.83 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -69.48 -35.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -58.69 -22.18 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -51.79 -48.76 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.4 m -54.17 -27.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.791 0.246 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -111.89 -26.41 8.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.14 129.84 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.98 126.63 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -101.41 -26.27 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.02 -45.55 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.35 -26.4 7.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.19 56.95 1.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -131.27 135.68 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -113.85 154.01 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -127.48 159.61 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.3 m -58.98 -30.48 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.14 176.13 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.1 p -89.7 -26.09 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.5 m -52.85 -57.84 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -67.01 -30.45 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.99 -43.39 98.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.22 -33.99 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.0 -26.35 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -70.37 -35.78 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -58.9 -22.01 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -51.82 -47.26 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.99 -27.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.813 0.256 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -109.41 -28.35 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -51.93 123.27 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 29.0 t -52.0 120.04 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.54 -26.24 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.01 -44.69 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -115.92 -26.26 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.2 57.43 1.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -130.18 133.02 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -111.81 142.8 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.23 150.26 40.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.9 p -58.9 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -142.86 142.34 31.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 10.9 p -58.8 -25.16 62.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 t -52.93 -45.81 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -78.69 -27.59 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.64 -39.03 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.48 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.83 -30.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -71.68 -34.93 70.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.95 -21.97 59.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -51.84 -44.17 63.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.2 m -56.5 -29.34 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.835 0.265 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -111.99 -27.62 8.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -52.13 129.22 27.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.8 t -51.96 128.4 24.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -104.38 -26.28 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.13 -47.51 65.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.0 p -114.44 -26.2 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.14 54.59 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -127.46 138.92 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -115.75 151.98 34.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -127.87 167.59 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 25.8 m -61.74 -52.87 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -122.7 163.22 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 1.8 p -74.4 -26.28 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 65.2 m -52.64 -56.81 12.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -69.11 -33.41 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.5 tp -55.16 -42.69 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.9 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -60.05 -35.87 76.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.93 -21.87 58.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -51.94 -41.2 61.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.74 -30.28 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.774 0.239 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -114.72 -28.04 7.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -51.96 126.33 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.2 t -52.0 118.66 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -95.23 -25.57 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -52.0 -53.02 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.8 p -108.58 -26.69 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.81 62.56 1.02 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -133.23 143.09 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -128.1 132.51 48.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -110.84 159.53 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 28.1 p -60.31 -45.16 94.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -123.12 148.82 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 27.0 p -68.42 -25.17 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 13.2 p -52.54 -53.83 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.57 -35.88 75.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 29.4 tp -54.31 -43.33 71.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.74 -34.76 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -73.94 -28.16 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -71.71 -35.9 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -58.93 -21.95 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -51.87 -42.76 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.76 -30.27 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.743 0.226 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -112.83 -26.13 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -51.99 132.29 32.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.22 116.07 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -88.08 -24.6 23.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -51.95 -43.57 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.49 -32.54 4.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 100.85 40.03 2.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -108.58 124.89 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -112.48 118.04 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.4 148.48 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 2.6 t -59.07 -26.54 64.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.67 158.79 42.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 19.5 p -82.5 -24.98 33.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 35.2 t -52.15 -48.08 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -74.95 -27.91 60.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.09 -36.63 84.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.84 -50.74 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -66.18 -30.8 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.12 -32.03 73.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -58.75 -22.19 57.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.39 -26.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.776 0.24 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -115.73 -26.82 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -51.97 126.17 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 121.97 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -100.38 -25.73 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -52.0 -45.94 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.1 p -116.57 -26.19 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.35 58.03 1.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -126.58 137.37 53.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -121.65 131.6 54.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -108.12 167.92 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 51.0 p -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -140.45 161.51 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 18.1 p -76.84 -27.32 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 m -52.07 -52.38 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -73.58 -30.41 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.31 -45.88 90.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.23 -32.27 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -73.99 -28.57 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -75.28 -35.88 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.98 -21.87 59.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -51.91 -41.69 62.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.48 -30.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 29.7 t -96.73 142.31 28.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.376 . . . . 0.0 110.84 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 65.0 m -104.05 91.59 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -138.53 176.24 20.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.8 m -128.29 117.58 21.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 32.3 t -116.62 -51.06 2.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -144.22 48.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 9.3 t -113.94 41.63 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.169 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 111.92 134.51 6.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 156.09 -74.34 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -123.05 72.73 46.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.96 2.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -113.52 -27.51 7.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.2 129.74 28.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.1 t -53.71 128.63 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.54 -26.52 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -52.22 -54.92 24.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.1 p -106.91 -27.6 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.24 50.46 2.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -121.87 134.57 54.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -111.88 156.39 22.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -133.84 149.85 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.8 p -54.96 -46.14 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -122.65 146.38 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 9.3 p -62.01 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.2 t -52.35 -61.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -60.83 -31.64 71.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 31.1 tp -64.58 -39.24 93.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.02 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -73.27 -33.39 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -59.49 -34.12 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.34 -22.63 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -51.84 -45.74 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.71 -30.25 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -98.96 38.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.15 141.91 55.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 171.98 161.92 23.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.434 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -80.67 165.59 21.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -173.94 70.51 0.34 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.569 0.699 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 137.89 36.47 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 94.9 p -167.64 131.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -85.94 176.28 48.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 127.13 14.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 60.0 p -144.55 127.38 16.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 51.5 p -129.9 125.33 35.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.476 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 38.7 t -172.34 163.49 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 t -163.26 120.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.811 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 103.82 46.72 1.35 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 59.8 p -89.97 142.87 27.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 86.8 p -95.86 124.25 39.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 158.09 47.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 39.8 m -144.53 109.38 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -57.46 177.0 1.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 147.84 -98.11 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -121.5 70.21 24.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -45.06 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -112.63 -27.75 8.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -51.99 126.76 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.0 117.88 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -96.08 -25.4 15.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -52.0 -46.62 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.65 -26.62 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 98.29 37.68 4.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.02 137.23 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -122.49 162.87 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -146.77 170.17 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 63.0 p -72.95 -46.18 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -123.91 149.79 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 12.2 p -65.84 -25.39 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.8 t -53.17 -50.24 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -72.21 -30.73 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.36 -39.5 90.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.4 64.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -79.04 -26.16 43.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -72.91 -35.69 67.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -58.19 -22.81 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -51.82 -43.45 63.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.0 m -53.02 -30.26 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -96.88 -68.89 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 9.0 t -88.28 153.95 20.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 99.77 30.3 6.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.39 153.77 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -172.18 68.44 0.42 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.29 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 59.6 m -115.85 -68.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 84.15 73.37 1.26 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.2 31.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 3.9 t -105.73 70.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 42.3 t -64.04 -52.79 57.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.485 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 1.3 p -169.52 149.95 4.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.5 m -122.5 95.97 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -140.85 41.88 1.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.5 m -159.72 155.72 26.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 27.3 t -59.31 136.43 57.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 159.57 118.81 0.52 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 7.2 m -94.2 79.34 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 111.104 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 160.42 -167.5 35.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 134.96 -155.2 21.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -137.73 69.4 51.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -47.6 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -108.47 -28.16 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -52.07 130.05 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 45.2 t -52.13 130.34 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -105.52 -26.19 12.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -52.18 -48.32 65.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.3 p -114.48 -26.39 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 96.94 40.77 3.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.85 137.09 42.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -123.86 159.29 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -141.98 164.74 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 65.6 m -73.31 -28.65 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -138.1 147.92 44.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.5 p -63.02 -25.49 68.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 44.6 t -52.5 -55.98 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.43 81.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 24.4 tp -59.31 -40.4 86.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.31 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.32 -34.86 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -61.01 -32.43 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.52 -22.44 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -51.81 -47.17 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.66 -30.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -100.63 38.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 2.6 m -127.63 125.07 39.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -168.1 -98.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -97.02 75.6 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.375 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -166.4 68.75 1.08 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.612 0.72 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -36.75 10.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 33.4 p -66.69 127.15 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 158.93 -170.15 35.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.54 65.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 50.8 m -97.16 116.7 29.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.33 99.42 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 5.2 p -99.82 160.84 14.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.1 m -157.36 165.26 36.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -102.74 68.89 0.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 62.5 p -85.27 170.34 12.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.5 p -87.37 110.67 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -151.14 80.84 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 2.7 m -132.72 124.17 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -135.7 -65.58 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 72.88 -102.91 1.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt 53.92 68.3 2.91 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.546 0.689 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -48.1 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.224 . . . . 0.0 112.331 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -116.62 -31.6 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -52.07 128.45 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.04 137.57 27.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -110.58 -26.46 9.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.17 -48.79 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.2 p -116.47 -26.19 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.21 60.73 1.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -130.43 130.49 44.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -105.39 163.69 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.18 157.1 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.1 m -57.51 -34.51 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -142.03 155.65 45.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 4.6 p -68.12 -25.35 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.4 t -52.44 -52.41 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.22 -31.06 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.49 -41.3 89.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.57 -37.53 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -73.58 -35.32 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -60.7 -32.07 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -58.55 -22.45 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.1 m -51.66 -30.24 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -100.71 38.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 6.7 t -80.28 137.16 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -109.63 157.62 14.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -107.46 88.56 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -171.16 70.66 0.51 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.53 0.681 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.96 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 6.1 t -102.45 69.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 167.44 169.65 31.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.549 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -19.57 35.97 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.753 2.302 . . . . 0.0 112.311 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 2.1 m 58.89 51.31 7.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.815 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 1.3 m -68.55 -44.83 73.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.476 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.3 t -158.27 105.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.0 m -141.86 146.45 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -63.33 -92.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 13.0 t -142.66 157.42 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 13.7 m -148.24 165.77 29.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 99.64 47.65 1.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 3.5 t -105.87 -26.31 11.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 111.194 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -162.9 179.63 38.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -177.27 -135.55 2.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -139.07 71.21 41.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.702 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -46.71 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -114.4 -27.05 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -52.02 121.13 6.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 t -52.41 117.92 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -93.39 -26.17 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.1 -43.42 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 27.4 p -116.75 -26.98 6.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.43 39.46 5.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -110.31 156.37 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -132.57 155.15 49.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -134.08 144.24 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.6 t -57.67 -27.53 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -134.42 143.86 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 5.3 p -69.05 -25.44 64.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.79 -55.8 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -66.15 -32.79 74.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 29.4 tp -60.13 -41.19 92.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.93 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -73.49 -33.32 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -64.78 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -58.54 -22.35 55.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -51.93 -47.43 64.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.64 -30.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -101.12 37.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 2.3 m -125.39 82.84 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -106.39 -142.91 11.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -101.29 130.43 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -170.52 70.94 0.57 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.568 0.699 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 133.37 25.33 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.268 . . . . 0.0 112.351 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 12.1 t -96.55 -50.27 4.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 130.85 -167.83 22.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 92.2 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 18.5 t -66.37 96.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 8.9 p 53.76 29.14 9.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.458 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 70.8 m -115.5 166.01 12.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 63.6 m -66.01 133.75 51.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 135.4 -43.15 1.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 p -132.58 178.56 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 60.6 m -125.17 88.47 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 157.32 -140.67 7.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 3.5 m -73.05 114.14 10.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -135.14 97.61 0.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -102.64 171.84 21.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm 55.08 68.64 2.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.31 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -116.2 -26.46 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -52.02 124.51 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 32.9 t -51.99 115.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -90.03 -26.04 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -52.04 -43.79 63.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.76 -28.27 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.13 45.29 3.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -115.69 158.26 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -134.08 160.84 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.54 157.26 46.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 6.6 t -52.67 -40.28 62.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -136.46 169.59 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.87 -25.18 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.2 p -52.12 -59.04 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -64.28 -34.86 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.02 -41.0 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.18 62.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -57.04 -32.08 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.61 -22.37 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -51.88 -47.57 64.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.7 -30.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -101.11 38.28 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 10.5 t -84.12 145.27 28.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -162.77 170.77 38.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -129.36 147.95 51.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -167.69 68.94 0.88 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.681 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -35.89 11.83 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.28 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 4.6 m -73.86 122.21 22.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 171.52 173.5 38.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 117.14 4.91 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 6.5 t -63.66 -50.9 67.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 54.89 28.02 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.492 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 1.9 m -166.23 148.57 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.5 t -71.78 -67.79 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -178.76 -175.14 45.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.3 m -126.17 95.08 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 40.7 t -104.71 -45.13 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -134.91 140.08 11.41 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 6.2 t -113.98 -25.19 8.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.877 0.37 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 101.81 119.6 4.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -162.85 25.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -122.06 69.32 28.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -43.72 2.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.304 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -115.63 -27.22 7.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -51.97 131.47 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 49.6 t -52.0 129.35 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -105.07 -26.13 12.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -52.05 -46.3 65.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.65 -27.1 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.74 47.76 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -116.26 134.22 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -116.97 145.6 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -125.13 179.79 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 11.1 p -69.2 -70.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -105.37 159.25 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.5 p -65.08 -25.63 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.6 t -53.79 -71.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -52.24 -35.18 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.5 tp -59.37 -40.79 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -58.06 -31.66 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -75.01 -26.78 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -73.26 -36.05 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.51 -22.46 55.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -51.82 -47.71 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.1 m -51.66 -30.18 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -92.6 -70.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 15.1 t -53.65 155.16 3.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -167.78 -106.66 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -82.5 130.54 35.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -173.9 72.46 0.35 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 128.66 16.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 26.0 t -78.54 103.57 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 144.35 -169.08 26.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.67 48.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 7.6 p -102.38 88.1 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 4.2 m -73.27 161.07 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.487 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 5.6 m -77.31 123.27 26.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.1 m -92.34 165.14 13.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 105.81 41.28 1.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 4.0 m -113.63 92.74 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 39.9 p -85.99 121.46 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -131.93 87.77 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 13.8 t -93.94 146.83 23.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 103.62 172.57 25.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 179.11 -107.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 56.36 69.48 1.79 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -47.47 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -111.48 -30.22 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -52.07 128.25 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 38.1 t -52.32 122.1 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -98.21 -26.13 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.04 -45.46 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -115.0 -26.59 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.79 57.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -132.66 129.75 39.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -109.66 129.63 55.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.89 165.01 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 54.5 m -62.64 -59.31 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -111.17 150.42 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 11.0 p -64.61 -25.15 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.1 p -53.54 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -58.05 -38.69 76.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 26.6 tp -53.97 -45.56 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.75 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -74.2 -32.12 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -58.56 -22.39 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -51.88 -47.94 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.68 -30.1 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -100.37 54.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -59.65 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 75.66 95.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -104.27 114.09 28.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -173.26 70.8 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.566 0.698 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -22.27 32.48 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.8 p -72.48 143.99 48.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 161.51 71.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.88 24.91 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.727 2.285 . . . . 0.0 112.345 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 22.8 m -85.54 157.79 20.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 4.0 m -111.49 90.11 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.501 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 9.8 p -167.37 165.02 15.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 36.9 t -157.83 157.9 34.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -132.32 -157.81 8.73 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 29.6 m -105.43 97.63 7.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.5 m -80.71 84.9 6.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 101.12 -143.28 16.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.3 m -90.87 -48.15 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 111.169 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 68.7 147.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.431 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 141.41 54.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.534 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -150.78 69.1 8.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.701 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -44.88 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.241 . . . . 0.0 112.323 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -108.45 -27.51 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -52.06 129.8 28.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.0 126.82 19.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -102.81 -25.95 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -51.97 -45.9 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.2 p -116.46 -26.25 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.16 49.63 2.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -120.52 132.04 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -110.54 163.03 14.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.45 162.77 34.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 23.3 m -69.02 -33.01 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -136.44 159.74 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.3 p -75.22 -26.36 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.2 t -52.44 -58.63 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -65.2 -40.6 94.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.7 tp -51.93 -43.55 63.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.94 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.27 -27.66 56.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -70.35 -33.15 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -58.61 -22.39 56.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -51.83 -47.82 64.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.74 -30.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -92.83 -71.39 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 8.8 t -52.33 157.7 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 133.14 -38.53 1.85 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.52 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -82.2 125.27 30.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.387 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -169.91 69.8 0.62 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 105.26 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.4 t -149.31 152.31 35.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -82.44 -178.2 52.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -178.96 2.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.355 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.2 m -119.24 66.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 3.3 p -170.31 171.91 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 3.9 m -125.37 162.03 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.7 m 54.45 42.99 31.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -144.38 74.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.443 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 20.7 m -96.69 105.39 17.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 12.5 p -153.77 169.72 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 141.16 -25.17 2.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 21.1 p -93.16 153.51 18.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -132.37 57.59 0.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -107.62 -94.41 2.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -173.6 68.38 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -47.55 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.373 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -106.35 -26.35 11.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -52.01 130.06 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.0 135.36 30.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -108.38 -26.51 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.15 -55.44 20.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 25.3 p -106.86 -27.39 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.02 67.63 1.26 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -143.57 124.29 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -101.8 152.14 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -124.45 177.38 5.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 10.2 p -67.08 -53.92 26.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.65 161.87 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 45.2 p -69.68 -25.42 63.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.3 p -52.2 -59.0 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -66.34 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.66 -39.88 92.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.95 -39.63 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.12 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -70.08 -34.4 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.5 -22.42 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -51.8 -46.75 64.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -52.39 -30.29 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -100.85 35.22 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 27.6 m -126.05 131.25 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 177.14 -113.76 0.44 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -94.17 52.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -171.19 68.55 0.48 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.524 0.678 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 84.2 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 14.7 m -85.67 89.76 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 100.56 -172.93 24.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.16 22.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.5 t -71.62 107.18 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 49.9 m -92.6 88.2 6.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.3 m -98.23 161.66 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.8 m -78.53 -57.7 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -142.92 87.52 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.2 p -66.54 116.8 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 4.5 m -142.27 147.88 37.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -169.94 120.6 0.88 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 72.3 m -131.63 133.97 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 106.68 54.26 0.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -145.53 27.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 55.31 71.85 1.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.708 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.94 2.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.77 -27.12 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -52.15 128.29 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.7 130.68 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -105.88 -26.16 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.03 -46.09 64.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.4 -26.22 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.24 66.56 1.16 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -138.75 124.5 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -103.56 157.33 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -135.75 151.58 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 37.1 t -58.59 -39.38 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.91 145.43 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 22.6 p -62.56 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.7 t -52.29 -47.39 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -74.92 -29.01 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.1 tp -63.68 -39.48 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.48 66.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -73.55 -29.98 62.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -68.09 -30.66 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.65 -22.3 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -51.92 -47.59 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -52.04 -29.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -103.05 56.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 17.0 p -110.62 93.98 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -85.75 -151.48 16.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -98.14 77.53 2.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.34 70.45 0.43 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.563 0.696 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -19.59 36.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.399 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 7.1 t -163.84 170.82 16.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 132.29 -74.2 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -26.34 27.51 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.328 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 26.1 t -140.38 159.52 42.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 48.3 m -102.88 132.22 49.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.501 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 2.5 t -84.94 165.27 17.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.4 t -73.56 159.13 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -135.63 112.11 0.96 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 4.7 t -128.77 -175.1 3.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.939 0.399 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 81.9 p -148.64 125.27 11.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 99.49 102.03 2.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 24.4 p -104.4 38.12 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 169.49 81.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -98.13 104.23 2.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -175.85 68.88 0.25 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.37 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.743 2.295 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -107.05 -27.26 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -52.05 124.0 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 30.9 t -51.93 115.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.94 -45.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 19.7 p -116.52 -26.12 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.33 64.39 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.45 136.53 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -119.83 139.41 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -116.07 158.71 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 9.4 p -61.76 -38.7 88.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -132.2 150.36 52.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 16.7 p -66.52 -25.17 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 11.4 m -52.54 -56.15 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -68.94 -36.99 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 30.4 tp -51.96 -43.85 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.36 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -70.8 -26.88 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -58.54 -22.38 55.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -51.84 -47.24 64.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.1 m -51.68 -30.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -93.11 -70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 7.8 t -93.93 153.71 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 176.85 -75.43 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.4 122.14 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -173.81 68.87 0.33 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -175.18 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 23.3 t -71.23 -56.37 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -140.47 177.54 20.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.52 33.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.641 2.227 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 3.0 m -54.71 -56.12 22.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 27.4 m -77.09 77.71 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.475 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 4.2 m -129.99 -45.18 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.4 t -79.87 173.93 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 88.36 21.54 44.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.9 p -122.55 115.23 21.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 30.7 t -155.82 160.83 40.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 111.62 116.49 3.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 18.5 m -86.98 -40.49 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 95.87 67.58 0.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 85.54 -158.14 32.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? 53.26 69.34 2.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.55 0.69 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -44.77 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -111.45 -26.35 9.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -51.96 129.22 26.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.06 132.08 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -106.18 -26.19 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -52.09 -45.52 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.2 -26.32 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.45 64.65 1.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -137.18 133.36 35.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -114.11 153.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -128.19 172.59 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 16.5 m -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -143.19 -177.41 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.9 p -86.98 -26.3 23.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 21.1 m -52.18 -45.76 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -79.81 -33.6 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 31.2 tp -55.24 -40.43 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.82 -33.67 56.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -74.65 -34.31 62.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -64.71 -29.02 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.61 -22.32 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -51.84 -46.99 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.2 m -52.65 -28.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -103.92 57.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 32.4 p -115.77 114.42 24.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -173.43 83.85 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.463 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.25 65.82 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -166.61 69.09 1.05 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -35.22 13.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.349 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 4.6 t 62.31 46.28 6.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 160.41 173.79 29.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 5.6 t -91.51 144.59 25.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 6.1 t -113.22 142.13 46.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.485 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 60.5 p -120.69 117.14 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.816 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.4 m -78.98 106.6 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 168.66 44.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.0 m -100.55 138.88 37.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 15.2 m -71.93 92.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -105.49 55.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.0 t -145.76 150.9 37.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 91.8 166.85 40.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 151.62 139.31 2.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -158.59 69.55 3.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -46.36 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -107.84 -26.95 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.08 127.11 20.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.06 124.69 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -101.71 -26.0 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -52.06 -45.41 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 24.2 p -116.55 -26.27 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.74 61.25 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -134.91 131.77 37.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -109.54 153.08 24.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.91 165.87 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 57.2 m -63.03 -45.53 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -126.68 165.45 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.6 p -76.52 -25.2 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.4 m -54.29 -67.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.61 -36.6 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 31.0 tp -57.1 -45.62 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.55 -33.0 53.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.83 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -69.48 -35.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -58.69 -22.18 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -51.79 -48.76 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.4 m -54.17 -27.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -91.98 -26.3 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 2.0 t -151.11 112.72 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 150.06 -158.19 27.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 59.74 42.35 16.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 68.79 1.04 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.583 0.706 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -29.36 24.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.387 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 6.0 p -76.74 129.45 36.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -138.06 74.98 0.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -28.02 25.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.634 2.223 . . . . 0.0 112.375 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.4 m -145.3 131.16 19.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 24.3 p -130.4 115.61 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.498 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.4 p -116.28 134.36 54.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 36.8 p -132.75 172.0 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -145.04 171.1 26.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 84.2 p -94.45 120.38 34.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 14.6 m -100.51 82.28 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 110.05 -55.75 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 2.2 m 60.84 31.55 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.356 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -110.48 45.66 1.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -105.67 -60.97 0.62 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -133.02 69.91 78.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.536 0.684 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -46.04 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -111.89 -26.41 8.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.14 129.84 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.98 126.63 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -101.41 -26.27 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.02 -45.55 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.35 -26.4 7.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.19 56.95 1.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -131.27 135.68 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -113.85 154.01 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -127.48 159.61 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.3 m -58.98 -30.48 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.14 176.13 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.1 p -89.7 -26.09 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.5 m -52.85 -57.84 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -67.01 -30.45 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.99 -43.39 98.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.22 -33.99 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.0 -26.35 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -70.37 -35.78 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -58.9 -22.01 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -51.82 -47.26 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.99 -27.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -92.32 -72.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 10.6 t -87.3 149.1 24.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -151.12 -95.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.23 127.9 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -170.23 69.73 0.58 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.39 24.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 3.5 m -109.2 108.63 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -84.7 -72.21 1.3 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 150.5 68.52 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 4.2 m -65.53 -73.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 6.0 t 60.57 40.74 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 3.4 p -82.89 -177.66 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.834 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 66.7 m -82.75 173.74 11.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 150.61 168.82 15.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.2 m -135.77 165.38 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 1.1 m -53.87 123.07 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -111.11 114.53 3.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 32.8 p -132.82 168.59 18.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 172.16 -60.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 96.42 174.0 35.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 37.6 mttp 53.49 68.97 2.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.586 0.708 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -48.25 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -109.41 -28.35 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -51.93 123.27 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 29.0 t -52.0 120.04 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.54 -26.24 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.01 -44.69 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -115.92 -26.26 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.2 57.43 1.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -130.18 133.02 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -111.81 142.8 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.23 150.26 40.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.9 p -58.9 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -142.86 142.34 31.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 10.9 p -58.8 -25.16 62.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 t -52.93 -45.81 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -78.69 -27.59 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.64 -39.03 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.48 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.83 -30.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -71.68 -34.93 70.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.95 -21.97 59.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -51.84 -44.17 63.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.2 m -56.5 -29.34 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -99.27 40.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 14.8 t -175.64 158.29 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -175.37 -125.83 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 52.32 40.2 28.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -169.2 70.41 0.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.694 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 120.02 6.88 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.417 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 41.0 p -92.43 103.76 16.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -71.96 177.15 39.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 170.58 16.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.4 p -163.68 150.37 11.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 46.6 t -67.07 120.04 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.492 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 79.6 p -159.04 114.6 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 t -117.92 128.28 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.811 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 149.55 95.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.6 t -149.29 144.28 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 1.2 p -152.21 112.0 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -165.32 55.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 2.1 p -110.71 102.47 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.323 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 130.68 133.22 3.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -174.32 130.78 1.86 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp 58.22 70.83 1.14 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.563 0.697 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -45.69 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -111.99 -27.62 8.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -52.13 129.22 27.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.8 t -51.96 128.4 24.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -104.38 -26.28 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.13 -47.51 65.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.0 p -114.44 -26.2 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.14 54.59 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -127.46 138.92 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -115.75 151.98 34.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -127.87 167.59 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 25.8 m -61.74 -52.87 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -122.7 163.22 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 1.8 p -74.4 -26.28 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 65.2 m -52.64 -56.81 12.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -69.11 -33.41 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.5 tp -55.16 -42.69 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.9 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -60.05 -35.87 76.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.93 -21.87 58.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -51.94 -41.2 61.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.74 -30.28 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -101.23 38.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 77.6 p -150.9 148.48 28.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 112.08 26.34 4.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -112.39 45.89 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.65 73.52 0.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.573 0.702 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 125.04 11.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.64 2.227 . . . . 0.0 112.399 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 5.8 m -81.4 69.61 8.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 179.62 176.12 46.94 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.1 8.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.2 p -84.15 172.97 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 33.2 m -98.81 134.46 41.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.499 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 8.7 t -93.72 54.86 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 5.9 p -72.92 156.43 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 141.76 -148.23 19.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 16.5 m -142.35 154.41 44.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 17.2 p -86.45 -37.71 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 160.17 -175.74 36.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.8 98.66 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -100.34 128.06 9.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -108.07 37.31 3.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -128.02 71.43 78.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.549 0.69 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -45.89 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -114.72 -28.04 7.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -51.96 126.33 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.2 t -52.0 118.66 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -95.23 -25.57 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -52.0 -53.02 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.8 p -108.58 -26.69 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.81 62.56 1.02 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -133.23 143.09 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -128.1 132.51 48.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -110.84 159.53 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 28.1 p -60.31 -45.16 94.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -123.12 148.82 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 27.0 p -68.42 -25.17 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 13.2 p -52.54 -53.83 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.57 -35.88 75.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 29.4 tp -54.31 -43.33 71.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.74 -34.76 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -73.94 -28.16 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -71.71 -35.9 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -58.93 -21.95 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -51.87 -42.76 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.1 m -57.76 -30.27 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -92.18 -71.33 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 10.1 t -85.27 154.63 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 169.28 71.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.434 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -52.05 136.25 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -173.27 70.97 0.38 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.94 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.2 m -52.51 -39.0 60.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -90.39 174.89 40.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 161.68 44.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 9.3 p -69.58 134.09 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 2.7 p -54.36 122.69 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.478 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 80.0 p -93.7 124.17 37.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 14.2 t -106.43 89.99 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -62.57 -91.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 12.0 p -84.26 177.72 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 2.1 t -154.24 129.48 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 109.42 -178.27 20.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 70.7 p -78.62 128.59 33.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 139.33 77.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -83.61 122.48 5.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -124.1 68.29 46.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.506 0.67 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.4 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.287 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -112.83 -26.13 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -51.99 132.29 32.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.22 116.07 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -88.08 -24.6 23.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -51.95 -43.57 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.49 -32.54 4.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 100.85 40.03 2.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -108.58 124.89 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -112.48 118.04 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.4 148.48 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 2.6 t -59.07 -26.54 64.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.67 158.79 42.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 19.5 p -82.5 -24.98 33.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 35.2 t -52.15 -48.08 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -74.95 -27.91 60.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.09 -36.63 84.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.84 -50.74 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -66.18 -30.8 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.12 -32.03 73.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -58.75 -22.19 57.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.3 m -54.39 -26.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -102.93 30.9 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 31.5 m -119.5 137.66 53.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 164.16 -101.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -130.83 131.66 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -169.06 68.55 0.68 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -24.32 29.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 3.6 m 56.39 26.7 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -112.23 176.78 18.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.08 66.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 30.4 m -80.53 -48.26 13.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 3.1 m -157.11 141.47 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.49 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 37.9 t -86.22 -45.33 11.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.375 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.0 t -171.97 123.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -143.9 99.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 49.0 p -158.38 160.45 36.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.4 m -153.06 155.63 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 162.8 124.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.3 140.16 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 63.34 -104.4 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 137.07 103.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -119.29 69.36 10.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.549 0.69 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -43.68 2.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -115.73 -26.82 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -51.97 126.17 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 121.97 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -100.38 -25.73 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -52.0 -45.94 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.1 p -116.57 -26.19 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.35 58.03 1.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -126.58 137.37 53.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -121.65 131.6 54.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -108.12 167.92 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 51.0 p -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -140.45 161.51 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 18.1 p -76.84 -27.32 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 m -52.07 -52.38 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -73.58 -30.41 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.31 -45.88 90.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.23 -32.27 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -73.99 -28.57 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -75.28 -35.88 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.98 -21.87 59.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -51.91 -41.69 62.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.48 -30.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -91.77 -71.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 14.8 t -84.23 158.43 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 89.71 68.57 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -113.2 87.3 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -169.91 69.38 0.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -27.53 26.48 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.393 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.7 p -62.66 156.7 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -101.46 -175.57 28.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.44 37.54 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.636 2.224 . . . . 0.0 112.383 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.5 m -62.26 -56.15 21.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.8 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 60.4 p -98.48 149.97 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.487 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.259 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.641 ' O ' HD21 ' A' ' 696' ' ' LEU . 34.9 p90 -113.52 -27.51 7.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.2 129.74 28.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.1 t -53.71 128.63 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.54 -26.52 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -52.22 -54.92 24.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.1 p -106.91 -27.6 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.24 50.46 2.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -121.87 134.57 54.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -111.88 156.39 22.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -133.84 149.85 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.8 p -54.96 -46.14 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -122.65 146.38 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 9.3 p -62.01 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.2 t -52.35 -61.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -60.83 -31.64 71.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.1 tp -64.58 -39.24 93.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.02 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -73.27 -33.39 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.4 t60 -59.49 -34.12 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.34 -22.63 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -51.84 -45.74 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.71 -30.25 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.76 0.233 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.483 ' O ' HD21 ' A' ' 696' ' ' LEU . 41.8 p90 -112.63 -27.75 8.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -51.99 126.76 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.0 117.88 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -96.08 -25.4 15.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -52.0 -46.62 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.65 -26.62 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 98.29 37.68 4.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.02 137.23 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -122.49 162.87 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -146.77 170.17 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 63.0 p -72.95 -46.18 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -123.91 149.79 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 12.2 p -65.84 -25.39 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.8 t -53.17 -50.24 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -72.21 -30.73 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.483 HD21 ' O ' ' A' ' 681' ' ' TYR . 28.0 tp -61.36 -39.5 90.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.4 64.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -79.04 -26.16 43.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 702' ' ' VAL . 73.0 t60 -72.91 -35.69 67.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -58.19 -22.81 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -51.82 -43.45 63.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.0 m -53.02 -30.26 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.806 0.253 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.437 ' O ' HD21 ' A' ' 696' ' ' LEU . 37.5 p90 -108.47 -28.16 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.643 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 50.5 tt0 -52.07 130.05 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 45.2 t -52.13 130.34 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -105.52 -26.19 12.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -52.18 -48.32 65.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.3 p -114.48 -26.39 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 96.94 40.77 3.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.85 137.09 42.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.643 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -123.86 159.29 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -141.98 164.74 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 65.6 m -73.31 -28.65 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -138.1 147.92 44.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.5 p -63.02 -25.49 68.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 44.6 t -52.5 -55.98 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.43 81.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 681' ' ' TYR . 24.4 tp -59.31 -40.4 86.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.31 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.32 -34.86 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.712 ' O ' HG22 ' A' ' 702' ' ' VAL . 75.5 t60 -61.01 -32.43 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.52 -22.44 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -51.81 -47.17 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.66 -30.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.781 0.242 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.585 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.4 p90 -116.62 -31.6 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.635 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 38.0 tt0 -52.07 128.45 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.04 137.57 27.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -110.58 -26.46 9.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.17 -48.79 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.2 p -116.47 -26.19 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.21 60.73 1.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -130.43 130.49 44.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.635 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -105.39 163.69 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.18 157.1 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.1 m -57.51 -34.51 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -142.03 155.65 45.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 4.6 p -68.12 -25.35 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.4 t -52.44 -52.41 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.22 -31.06 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.585 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.7 tp -59.49 -41.3 89.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.57 -37.53 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -73.58 -35.32 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.719 ' O ' HG22 ' A' ' 702' ' ' VAL . 76.5 t60 -60.7 -32.07 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -58.55 -22.45 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.66 -30.24 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.822 0.259 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.566 ' O ' HD21 ' A' ' 696' ' ' LEU . 48.3 p90 -114.4 -27.05 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -52.02 121.13 6.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 t -52.41 117.92 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.39 -26.17 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.1 -43.42 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 27.4 p -116.75 -26.98 6.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.43 39.46 5.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -110.31 156.37 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -132.57 155.15 49.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -134.08 144.24 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.6 t -57.67 -27.53 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -134.42 143.86 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 5.3 p -69.05 -25.44 64.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.79 -55.8 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -66.15 -32.79 74.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.566 HD21 ' O ' ' A' ' 681' ' ' TYR . 29.4 tp -60.13 -41.19 92.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.93 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -73.49 -33.32 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 702' ' ' VAL . 76.2 t60 -64.78 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -58.54 -22.35 55.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -51.93 -47.43 64.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.64 -30.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.781 0.242 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.558 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.2 p90 -116.2 -26.46 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.547 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 6.1 tt0 -52.02 124.51 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 32.9 t -51.99 115.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -90.03 -26.04 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -52.04 -43.79 63.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.76 -28.27 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.13 45.29 3.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -115.69 158.26 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.547 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -134.08 160.84 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.54 157.26 46.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 6.6 t -52.67 -40.28 62.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -136.46 169.59 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.87 -25.18 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.2 p -52.12 -59.04 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -64.28 -34.86 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.558 HD21 ' O ' ' A' ' 681' ' ' TYR . 26.6 tp -58.02 -41.0 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.18 62.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.1 t60 -57.04 -32.08 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.61 -22.37 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -51.88 -47.57 64.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.7 -30.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.752 0.23 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.681 ' O ' HD21 ' A' ' 696' ' ' LEU . 31.3 p90 -115.63 -27.22 7.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -51.97 131.47 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 49.6 t -52.0 129.35 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -105.07 -26.13 12.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -52.05 -46.3 65.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.65 -27.1 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.74 47.76 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -116.26 134.22 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -116.97 145.6 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -125.13 179.79 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 11.1 p -69.2 -70.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -105.37 159.25 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.5 p -65.08 -25.63 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.6 t -53.79 -71.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -52.24 -35.18 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.681 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.5 tp -59.37 -40.79 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -58.06 -31.66 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -75.01 -26.78 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -73.26 -36.05 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.51 -22.46 55.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -51.82 -47.71 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.66 -30.18 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.818 0.258 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.653 ' O ' HD21 ' A' ' 696' ' ' LEU . 42.7 p90 -111.48 -30.22 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.693 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 54.6 tt0 -52.07 128.25 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 38.1 t -52.32 122.1 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -98.21 -26.13 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.04 -45.46 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -115.0 -26.59 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.79 57.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -132.66 129.75 39.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.693 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -109.66 129.63 55.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.89 165.01 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 54.5 m -62.64 -59.31 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -111.17 150.42 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 11.0 p -64.61 -25.15 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.1 p -53.54 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -58.05 -38.69 76.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.653 HD21 ' O ' ' A' ' 681' ' ' TYR . 26.6 tp -53.97 -45.56 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.75 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -74.2 -32.12 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.729 ' O ' HG22 ' A' ' 702' ' ' VAL . 82.1 t60 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -58.56 -22.39 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -51.88 -47.94 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.68 -30.1 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.807 0.253 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.603 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.7 p90 -108.45 -27.51 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.558 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 53.4 tt0 -52.06 129.8 28.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.0 126.82 19.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -102.81 -25.95 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -51.97 -45.9 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.2 p -116.46 -26.25 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.16 49.63 2.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -120.52 132.04 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.558 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -110.54 163.03 14.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.45 162.77 34.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 23.3 m -69.02 -33.01 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -136.44 159.74 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.3 p -75.22 -26.36 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.2 t -52.44 -58.63 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -65.2 -40.6 94.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.603 HD21 ' O ' ' A' ' 681' ' ' TYR . 28.7 tp -51.93 -43.55 63.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.94 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.27 -27.66 56.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 702' ' ' VAL . 72.7 t60 -70.35 -33.15 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -58.61 -22.39 56.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -51.83 -47.82 64.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.74 -30.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.768 0.237 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.591 ' O ' HD21 ' A' ' 696' ' ' LEU . 41.4 p90 -106.35 -26.35 11.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.641 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 43.0 tt0 -52.01 130.06 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.0 135.36 30.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -108.38 -26.51 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.15 -55.44 20.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 25.3 p -106.86 -27.39 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.02 67.63 1.26 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -143.57 124.29 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.641 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -101.8 152.14 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -124.45 177.38 5.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 10.2 p -67.08 -53.92 26.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.65 161.87 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 45.2 p -69.68 -25.42 63.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.3 p -52.2 -59.0 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -66.34 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.591 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.6 tp -61.66 -39.88 92.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.95 -39.63 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.12 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.721 ' O ' HG22 ' A' ' 702' ' ' VAL . 74.8 t60 -70.08 -34.4 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.5 -22.42 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -51.8 -46.75 64.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -52.39 -30.29 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.806 0.252 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.77 -27.12 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.567 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 46.1 tt0 -52.15 128.29 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.7 130.68 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -105.88 -26.16 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.03 -46.09 64.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.4 -26.22 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.24 66.56 1.16 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -138.75 124.5 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.567 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -103.56 157.33 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -135.75 151.58 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 37.1 t -58.59 -39.38 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.91 145.43 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 22.6 p -62.56 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.7 t -52.29 -47.39 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -74.92 -29.01 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.1 tp -63.68 -39.48 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.48 66.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -73.55 -29.98 62.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.6 t60 -68.09 -30.66 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.65 -22.3 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -51.92 -47.59 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -52.04 -29.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.793 0.247 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.582 ' O ' HD21 ' A' ' 696' ' ' LEU . 31.6 p90 -107.05 -27.26 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -52.05 124.0 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 30.9 t -51.93 115.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.94 -45.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 19.7 p -116.52 -26.12 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.33 64.39 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.45 136.53 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -119.83 139.41 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -116.07 158.71 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 9.4 p -61.76 -38.7 88.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -132.2 150.36 52.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 16.7 p -66.52 -25.17 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 11.4 m -52.54 -56.15 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -68.94 -36.99 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 681' ' ' TYR . 30.4 tp -51.96 -43.85 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.36 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -70.8 -26.88 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -58.54 -22.38 55.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -51.84 -47.24 64.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.68 -30.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.795 0.248 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.428 ' O ' HD21 ' A' ' 696' ' ' LEU . 34.6 p90 -111.45 -26.35 9.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.741 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 45.0 tt0 -51.96 129.22 26.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.06 132.08 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -106.18 -26.19 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -52.09 -45.52 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.2 -26.32 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.45 64.65 1.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -137.18 133.36 35.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.741 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -114.11 153.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -128.19 172.59 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 16.5 m -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -143.19 -177.41 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.9 p -86.98 -26.3 23.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 21.1 m -52.18 -45.76 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -79.81 -33.6 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.2 tp -55.24 -40.43 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.82 -33.67 56.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -74.65 -34.31 62.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.6 t60 -64.71 -29.02 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.61 -22.32 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -51.84 -46.99 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.2 m -52.65 -28.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.77 0.238 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.66 ' O ' HD21 ' A' ' 696' ' ' LEU . 36.1 p90 -107.84 -26.95 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.557 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 47.3 tt0 -52.08 127.11 20.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.06 124.69 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -101.71 -26.0 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -52.06 -45.41 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 24.2 p -116.55 -26.27 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.74 61.25 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -134.91 131.77 37.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.557 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -109.54 153.08 24.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.91 165.87 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 57.2 m -63.03 -45.53 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -126.68 165.45 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.6 p -76.52 -25.2 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.4 m -54.29 -67.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.61 -36.6 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.0 tp -57.1 -45.62 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.55 -33.0 53.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.83 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.729 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.8 t60 -69.48 -35.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -58.69 -22.18 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -51.79 -48.76 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -54.17 -27.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.791 0.246 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.611 ' O ' HD21 ' A' ' 696' ' ' LEU . 33.8 p90 -111.89 -26.41 8.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.14 129.84 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.98 126.63 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -101.41 -26.27 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.02 -45.55 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.35 -26.4 7.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.19 56.95 1.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -131.27 135.68 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -113.85 154.01 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -127.48 159.61 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.3 m -58.98 -30.48 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.14 176.13 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.1 p -89.7 -26.09 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.5 m -52.85 -57.84 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -67.01 -30.45 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.611 HD21 ' O ' ' A' ' 681' ' ' TYR . 32.6 tp -60.99 -43.39 98.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.22 -33.99 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.0 -26.35 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.731 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.0 t60 -70.37 -35.78 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -58.9 -22.01 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -51.82 -47.26 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -54.99 -27.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.813 0.256 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.405 ' O ' HD21 ' A' ' 696' ' ' LEU . 54.0 p90 -109.41 -28.35 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.51 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 47.0 tt0 -51.93 123.27 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 29.0 t -52.0 120.04 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.54 -26.24 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.01 -44.69 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -115.92 -26.26 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.2 57.43 1.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -130.18 133.02 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.51 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -111.81 142.8 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.23 150.26 40.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.9 p -58.9 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -142.86 142.34 31.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 10.9 p -58.8 -25.16 62.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 t -52.93 -45.81 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -78.69 -27.59 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 681' ' ' TYR . 35.4 tp -62.64 -39.03 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.48 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.83 -30.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.5 t60 -71.68 -34.93 70.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.95 -21.97 59.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -51.84 -44.17 63.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.2 m -56.5 -29.34 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.835 0.265 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.626 ' O ' HD21 ' A' ' 696' ' ' LEU . 44.7 p90 -111.99 -27.62 8.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.472 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 47.6 tt0 -52.13 129.22 27.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.8 t -51.96 128.4 24.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -104.38 -26.28 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.13 -47.51 65.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.0 p -114.44 -26.2 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.14 54.59 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -127.46 138.92 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.472 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -115.75 151.98 34.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -127.87 167.59 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 25.8 m -61.74 -52.87 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -122.7 163.22 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 1.8 p -74.4 -26.28 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 65.2 m -52.64 -56.81 12.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -69.11 -33.41 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.5 tp -55.16 -42.69 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.9 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -60.05 -35.87 76.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.706 ' O ' HG22 ' A' ' 702' ' ' VAL . 75.5 t60 -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.93 -21.87 58.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -51.94 -41.2 61.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -58.74 -30.28 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.774 0.239 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.552 ' O ' HD21 ' A' ' 696' ' ' LEU . 44.0 p90 -114.72 -28.04 7.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.517 ' HG3' ' HB2' ' A' ' 689' ' ' ALA . 39.9 tt0 -51.96 126.33 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.2 t -52.0 118.66 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -95.23 -25.57 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -52.0 -53.02 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.8 p -108.58 -26.69 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.81 62.56 1.02 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -133.23 143.09 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 689' ' ' ALA . . . . . 0.517 ' HB2' ' HG3' ' A' ' 682' ' ' GLN . . . -128.1 132.51 48.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -110.84 159.53 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 28.1 p -60.31 -45.16 94.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -123.12 148.82 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 27.0 p -68.42 -25.17 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 13.2 p -52.54 -53.83 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.57 -35.88 75.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 681' ' ' TYR . 29.4 tp -54.31 -43.33 71.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.74 -34.76 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -73.94 -28.16 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 79.0 t60 -71.71 -35.9 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -58.93 -21.95 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -51.87 -42.76 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -57.76 -30.27 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.743 0.226 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -112.83 -26.13 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -51.99 132.29 32.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.22 116.07 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -88.08 -24.6 23.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -51.95 -43.57 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.49 -32.54 4.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 100.85 40.03 2.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -108.58 124.89 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -112.48 118.04 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.4 148.48 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 2.6 t -59.07 -26.54 64.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.67 158.79 42.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 19.5 p -82.5 -24.98 33.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 35.2 t -52.15 -48.08 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -74.95 -27.91 60.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.09 -36.63 84.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.84 -50.74 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -66.18 -30.8 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -63.12 -32.03 73.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -58.75 -22.19 57.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -54.39 -26.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.776 0.24 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 681' ' ' TYR . . . . . 0.597 ' O ' HD21 ' A' ' 696' ' ' LEU . 33.1 p90 -115.73 -26.82 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -51.97 126.17 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 121.97 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -100.38 -25.73 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -52.0 -45.94 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.1 p -116.57 -26.19 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.35 58.03 1.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -126.58 137.37 53.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -121.65 131.6 54.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -108.12 167.92 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 51.0 p -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -140.45 161.51 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 18.1 p -76.84 -27.32 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 m -52.07 -52.38 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -73.58 -30.41 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 696' ' ' LEU . . . . . 0.597 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.7 tp -59.31 -45.88 90.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.23 -32.27 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -73.99 -28.57 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 79.7 t60 -75.28 -35.88 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.98 -21.87 59.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -51.91 -41.69 62.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.0 m -59.48 -30.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 29.7 t -96.73 142.31 28.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.376 . . . . 0.0 110.84 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 65.0 m -104.05 91.59 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -138.53 176.24 20.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.8 m -128.29 117.58 21.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 32.3 t -116.62 -51.06 2.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -144.22 48.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 9.3 t -113.94 41.63 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.169 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 111.92 134.51 6.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 156.09 -74.34 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -123.05 72.73 46.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.96 2.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.641 ' O ' HD21 ' A' ' 696' ' ' LEU . 34.9 p90 -113.52 -27.51 7.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.2 129.74 28.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.1 t -53.71 128.63 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.54 -26.52 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -52.22 -54.92 24.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.1 p -106.91 -27.6 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.24 50.46 2.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -121.87 134.57 54.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -111.88 156.39 22.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -133.84 149.85 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.8 p -54.96 -46.14 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -122.65 146.38 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 9.3 p -62.01 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.2 t -52.35 -61.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -60.83 -31.64 71.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.1 tp -64.58 -39.24 93.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.02 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -73.27 -33.39 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.4 t60 -59.49 -34.12 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.34 -22.63 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 704' ' ' THR . 10.2 mmm180 -51.84 -45.74 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.71 -30.25 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -98.96 38.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 701' ' ' ARG . 0.8 OUTLIER -68.15 141.91 55.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 171.98 161.92 23.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.434 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -80.67 165.59 21.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -173.94 70.51 0.34 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.569 0.699 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 137.89 36.47 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 94.9 p -167.64 131.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -85.94 176.28 48.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 127.13 14.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 60.0 p -144.55 127.38 16.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 51.5 p -129.9 125.33 35.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.476 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 38.7 t -172.34 163.49 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 t -163.26 120.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.811 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 103.82 46.72 1.35 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 59.8 p -89.97 142.87 27.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 86.8 p -95.86 124.25 39.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 158.09 47.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 39.8 m -144.53 109.38 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -57.46 177.0 1.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 147.84 -98.11 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -121.5 70.21 24.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -45.06 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.483 ' O ' HD21 ' A' ' 696' ' ' LEU . 41.8 p90 -112.63 -27.75 8.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -51.99 126.76 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.0 117.88 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -96.08 -25.4 15.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -52.0 -46.62 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.65 -26.62 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 98.29 37.68 4.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.02 137.23 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -122.49 162.87 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -146.77 170.17 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 63.0 p -72.95 -46.18 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -123.91 149.79 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 12.2 p -65.84 -25.39 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.8 t -53.17 -50.24 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -72.21 -30.73 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.483 HD21 ' O ' ' A' ' 681' ' ' TYR . 28.0 tp -61.36 -39.5 90.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.4 64.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -79.04 -26.16 43.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 702' ' ' VAL . 73.0 t60 -72.91 -35.69 67.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -58.19 -22.81 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -51.82 -43.45 63.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.0 m -53.02 -30.26 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -96.88 -68.89 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 9.0 t -88.28 153.95 20.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 99.77 30.3 6.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.39 153.77 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -172.18 68.44 0.42 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.29 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 59.6 m -115.85 -68.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 84.15 73.37 1.26 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.2 31.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 3.9 t -105.73 70.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 42.3 t -64.04 -52.79 57.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.485 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 1.3 p -169.52 149.95 4.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.5 m -122.5 95.97 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -140.85 41.88 1.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.5 m -159.72 155.72 26.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 27.3 t -59.31 136.43 57.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 159.57 118.81 0.52 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 7.2 m -94.2 79.34 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 111.104 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 160.42 -167.5 35.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 134.96 -155.2 21.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -137.73 69.4 51.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -47.6 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.437 ' O ' HD21 ' A' ' 696' ' ' LEU . 37.5 p90 -108.47 -28.16 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.643 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 50.5 tt0 -52.07 130.05 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 45.2 t -52.13 130.34 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -105.52 -26.19 12.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -52.18 -48.32 65.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.3 p -114.48 -26.39 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 96.94 40.77 3.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.85 137.09 42.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.643 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -123.86 159.29 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -141.98 164.74 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 65.6 m -73.31 -28.65 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -138.1 147.92 44.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.5 p -63.02 -25.49 68.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 44.6 t -52.5 -55.98 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.43 81.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 681' ' ' TYR . 24.4 tp -59.31 -40.4 86.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.31 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.32 -34.86 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.712 ' O ' HG22 ' A' ' 702' ' ' VAL . 75.5 t60 -61.01 -32.43 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.52 -22.44 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -51.81 -47.17 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.66 -30.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -100.63 38.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 2.6 m -127.63 125.07 39.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -168.1 -98.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -97.02 75.6 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.375 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -166.4 68.75 1.08 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.612 0.72 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -36.75 10.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 33.4 p -66.69 127.15 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 158.93 -170.15 35.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.54 65.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 50.8 m -97.16 116.7 29.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.33 99.42 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 5.2 p -99.82 160.84 14.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.1 m -157.36 165.26 36.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -102.74 68.89 0.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 62.5 p -85.27 170.34 12.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.5 p -87.37 110.67 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -151.14 80.84 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 2.7 m -132.72 124.17 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -135.7 -65.58 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 72.88 -102.91 1.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt 53.92 68.3 2.91 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.546 0.689 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -48.1 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.224 . . . . 0.0 112.331 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.585 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.4 p90 -116.62 -31.6 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.635 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 38.0 tt0 -52.07 128.45 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.04 137.57 27.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -110.58 -26.46 9.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.17 -48.79 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.2 p -116.47 -26.19 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.21 60.73 1.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -130.43 130.49 44.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.635 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -105.39 163.69 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.18 157.1 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.1 m -57.51 -34.51 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -142.03 155.65 45.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 4.6 p -68.12 -25.35 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.4 t -52.44 -52.41 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.22 -31.06 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.585 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.7 tp -59.49 -41.3 89.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.57 -37.53 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -73.58 -35.32 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.719 ' O ' HG22 ' A' ' 702' ' ' VAL . 76.5 t60 -60.7 -32.07 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -58.55 -22.45 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.66 -30.24 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -100.71 38.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 6.7 t -80.28 137.16 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -109.63 157.62 14.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -107.46 88.56 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -171.16 70.66 0.51 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.53 0.681 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.96 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 6.1 t -102.45 69.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 167.44 169.65 31.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.549 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -19.57 35.97 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.753 2.302 . . . . 0.0 112.311 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 2.1 m 58.89 51.31 7.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.815 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 1.3 m -68.55 -44.83 73.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.476 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.3 t -158.27 105.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.0 m -141.86 146.45 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -63.33 -92.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 13.0 t -142.66 157.42 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 13.7 m -148.24 165.77 29.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 99.64 47.65 1.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 3.5 t -105.87 -26.31 11.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 111.194 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -162.9 179.63 38.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -177.27 -135.55 2.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -139.07 71.21 41.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.702 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -46.71 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.566 ' O ' HD21 ' A' ' 696' ' ' LEU . 48.3 p90 -114.4 -27.05 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -52.02 121.13 6.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 t -52.41 117.92 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -93.39 -26.17 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.1 -43.42 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 27.4 p -116.75 -26.98 6.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.43 39.46 5.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -110.31 156.37 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -132.57 155.15 49.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -134.08 144.24 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.6 t -57.67 -27.53 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -134.42 143.86 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 5.3 p -69.05 -25.44 64.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.79 -55.8 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -66.15 -32.79 74.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.566 HD21 ' O ' ' A' ' 681' ' ' TYR . 29.4 tp -60.13 -41.19 92.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.93 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -73.49 -33.32 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 702' ' ' VAL . 76.2 t60 -64.78 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -58.54 -22.35 55.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -51.93 -47.43 64.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.64 -30.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -101.12 37.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 2.3 m -125.39 82.84 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -106.39 -142.91 11.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -101.29 130.43 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -170.52 70.94 0.57 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.568 0.699 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 133.37 25.33 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.268 . . . . 0.0 112.351 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 12.1 t -96.55 -50.27 4.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 130.85 -167.83 22.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 92.2 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 18.5 t -66.37 96.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 8.9 p 53.76 29.14 9.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.458 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 70.8 m -115.5 166.01 12.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 63.6 m -66.01 133.75 51.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 135.4 -43.15 1.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 p -132.58 178.56 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 60.6 m -125.17 88.47 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 157.32 -140.67 7.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 3.5 m -73.05 114.14 10.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -135.14 97.61 0.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -102.64 171.84 21.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm 55.08 68.64 2.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.31 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.558 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.2 p90 -116.2 -26.46 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.547 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 6.1 tt0 -52.02 124.51 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 32.9 t -51.99 115.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -90.03 -26.04 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -52.04 -43.79 63.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.76 -28.27 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.13 45.29 3.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -115.69 158.26 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.547 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -134.08 160.84 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.54 157.26 46.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 6.6 t -52.67 -40.28 62.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -136.46 169.59 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.87 -25.18 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.2 p -52.12 -59.04 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -64.28 -34.86 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.558 HD21 ' O ' ' A' ' 681' ' ' TYR . 26.6 tp -58.02 -41.0 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.18 62.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.1 t60 -57.04 -32.08 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.61 -22.37 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -51.88 -47.57 64.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.7 -30.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -101.11 38.28 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 10.5 t -84.12 145.27 28.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -162.77 170.77 38.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -129.36 147.95 51.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -167.69 68.94 0.88 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.681 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -35.89 11.83 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.28 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 4.6 m -73.86 122.21 22.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 171.52 173.5 38.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 117.14 4.91 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 6.5 t -63.66 -50.9 67.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 54.89 28.02 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.492 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 1.9 m -166.23 148.57 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.5 t -71.78 -67.79 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -178.76 -175.14 45.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.3 m -126.17 95.08 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 40.7 t -104.71 -45.13 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -134.91 140.08 11.41 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 6.2 t -113.98 -25.19 8.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.877 0.37 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 101.81 119.6 4.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -162.85 25.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -122.06 69.32 28.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -43.72 2.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.304 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.681 ' O ' HD21 ' A' ' 696' ' ' LEU . 31.3 p90 -115.63 -27.22 7.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -51.97 131.47 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 49.6 t -52.0 129.35 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -105.07 -26.13 12.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -52.05 -46.3 65.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.65 -27.1 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.74 47.76 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -116.26 134.22 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -116.97 145.6 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -125.13 179.79 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 11.1 p -69.2 -70.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -105.37 159.25 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.5 p -65.08 -25.63 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.6 t -53.79 -71.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -52.24 -35.18 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.681 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.5 tp -59.37 -40.79 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -58.06 -31.66 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -75.01 -26.78 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -73.26 -36.05 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 700' ' ' GLN . . . . . 0.478 ' O ' HG22 ' A' ' 704' ' ' THR . 52.2 mt-30 -58.51 -22.46 55.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -51.82 -47.71 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.66 -30.18 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -92.6 -70.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 704' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 700' ' ' GLN . 15.1 t -53.65 155.16 3.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -167.78 -106.66 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -82.5 130.54 35.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -173.9 72.46 0.35 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 128.66 16.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 26.0 t -78.54 103.57 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 144.35 -169.08 26.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.67 48.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 7.6 p -102.38 88.1 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 4.2 m -73.27 161.07 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.487 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 5.6 m -77.31 123.27 26.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.1 m -92.34 165.14 13.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 105.81 41.28 1.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 4.0 m -113.63 92.74 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 39.9 p -85.99 121.46 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -131.93 87.77 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 13.8 t -93.94 146.83 23.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 103.62 172.57 25.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 179.11 -107.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 56.36 69.48 1.79 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -47.47 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.653 ' O ' HD21 ' A' ' 696' ' ' LEU . 42.7 p90 -111.48 -30.22 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.693 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 54.6 tt0 -52.07 128.25 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 38.1 t -52.32 122.1 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -98.21 -26.13 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.04 -45.46 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -115.0 -26.59 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.79 57.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -132.66 129.75 39.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.693 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -109.66 129.63 55.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.89 165.01 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 54.5 m -62.64 -59.31 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -111.17 150.42 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 11.0 p -64.61 -25.15 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.1 p -53.54 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -58.05 -38.69 76.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.653 HD21 ' O ' ' A' ' 681' ' ' TYR . 26.6 tp -53.97 -45.56 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.75 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -74.2 -32.12 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.729 ' O ' HG22 ' A' ' 702' ' ' VAL . 82.1 t60 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -58.56 -22.39 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 701' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 704' ' ' THR . 19.2 mmm180 -51.88 -47.94 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.68 -30.1 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -100.37 54.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 704' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 701' ' ' ARG . 0.9 OUTLIER -53.97 -59.65 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 75.66 95.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -104.27 114.09 28.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -173.26 70.8 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.566 0.698 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -22.27 32.48 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.8 p -72.48 143.99 48.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 161.51 71.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.88 24.91 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.727 2.285 . . . . 0.0 112.345 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 22.8 m -85.54 157.79 20.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 4.0 m -111.49 90.11 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.501 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 9.8 p -167.37 165.02 15.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 36.9 t -157.83 157.9 34.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -132.32 -157.81 8.73 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 29.6 m -105.43 97.63 7.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.5 m -80.71 84.9 6.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 101.12 -143.28 16.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.3 m -90.87 -48.15 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 111.169 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 68.7 147.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.431 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 141.41 54.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.534 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -150.78 69.1 8.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.701 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -44.88 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.241 . . . . 0.0 112.323 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.603 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.7 p90 -108.45 -27.51 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.558 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 53.4 tt0 -52.06 129.8 28.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.0 126.82 19.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -102.81 -25.95 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -51.97 -45.9 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.2 p -116.46 -26.25 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.16 49.63 2.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -120.52 132.04 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.558 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -110.54 163.03 14.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.45 162.77 34.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 23.3 m -69.02 -33.01 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -136.44 159.74 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.3 p -75.22 -26.36 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.2 t -52.44 -58.63 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -65.2 -40.6 94.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.603 HD21 ' O ' ' A' ' 681' ' ' TYR . 28.7 tp -51.93 -43.55 63.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.94 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.27 -27.66 56.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 702' ' ' VAL . 72.7 t60 -70.35 -33.15 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 700' ' ' GLN . . . . . 0.634 ' O ' HG22 ' A' ' 704' ' ' THR . 47.8 mt-30 -58.61 -22.39 56.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -51.83 -47.82 64.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.74 -30.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -92.83 -71.39 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 704' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 700' ' ' GLN . 8.8 t -52.33 157.7 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 133.14 -38.53 1.85 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.52 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -82.2 125.27 30.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.387 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -169.91 69.8 0.62 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 105.26 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.4 t -149.31 152.31 35.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -82.44 -178.2 52.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -178.96 2.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.355 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.2 m -119.24 66.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 3.3 p -170.31 171.91 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 3.9 m -125.37 162.03 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.7 m 54.45 42.99 31.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -144.38 74.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.443 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 20.7 m -96.69 105.39 17.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 12.5 p -153.77 169.72 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 141.16 -25.17 2.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 21.1 p -93.16 153.51 18.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -132.37 57.59 0.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -107.62 -94.41 2.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -173.6 68.38 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -47.55 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.373 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.591 ' O ' HD21 ' A' ' 696' ' ' LEU . 41.4 p90 -106.35 -26.35 11.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.641 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 43.0 tt0 -52.01 130.06 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.0 135.36 30.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -108.38 -26.51 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.15 -55.44 20.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 25.3 p -106.86 -27.39 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.02 67.63 1.26 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -143.57 124.29 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.641 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -101.8 152.14 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -124.45 177.38 5.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 10.2 p -67.08 -53.92 26.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.65 161.87 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 45.2 p -69.68 -25.42 63.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.3 p -52.2 -59.0 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -66.34 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.591 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.6 tp -61.66 -39.88 92.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.95 -39.63 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.12 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.721 ' O ' HG22 ' A' ' 702' ' ' VAL . 74.8 t60 -70.08 -34.4 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.5 -22.42 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -51.8 -46.75 64.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -52.39 -30.29 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -100.85 35.22 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 27.6 m -126.05 131.25 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 177.14 -113.76 0.44 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -94.17 52.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -171.19 68.55 0.48 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.524 0.678 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 84.2 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 14.7 m -85.67 89.76 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 100.56 -172.93 24.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.16 22.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.5 t -71.62 107.18 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 49.9 m -92.6 88.2 6.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.3 m -98.23 161.66 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.8 m -78.53 -57.7 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -142.92 87.52 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.2 p -66.54 116.8 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 4.5 m -142.27 147.88 37.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -169.94 120.6 0.88 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 72.3 m -131.63 133.97 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 106.68 54.26 0.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -145.53 27.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 55.31 71.85 1.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.708 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.94 2.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.77 -27.12 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.567 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 46.1 tt0 -52.15 128.29 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.7 130.68 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -105.88 -26.16 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.03 -46.09 64.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.4 -26.22 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.24 66.56 1.16 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -138.75 124.5 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.567 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -103.56 157.33 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -135.75 151.58 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 37.1 t -58.59 -39.38 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.91 145.43 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 22.6 p -62.56 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.7 t -52.29 -47.39 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -74.92 -29.01 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.1 tp -63.68 -39.48 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.48 66.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -73.55 -29.98 62.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.6 t60 -68.09 -30.66 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.65 -22.3 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 701' ' ' ARG . . . . . 0.414 ' O ' HG23 ' A' ' 704' ' ' THR . 13.9 mmm-85 -51.92 -47.59 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -52.04 -29.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -103.05 56.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 704' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 701' ' ' ARG . 17.0 p -110.62 93.98 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -85.75 -151.48 16.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -98.14 77.53 2.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.34 70.45 0.43 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.563 0.696 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -19.59 36.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.399 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 7.1 t -163.84 170.82 16.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 132.29 -74.2 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -26.34 27.51 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.328 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 26.1 t -140.38 159.52 42.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 48.3 m -102.88 132.22 49.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.501 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 2.5 t -84.94 165.27 17.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.4 t -73.56 159.13 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -135.63 112.11 0.96 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 4.7 t -128.77 -175.1 3.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.939 0.399 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 81.9 p -148.64 125.27 11.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 99.49 102.03 2.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 24.4 p -104.4 38.12 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 169.49 81.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -98.13 104.23 2.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -175.85 68.88 0.25 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.37 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.743 2.295 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.582 ' O ' HD21 ' A' ' 696' ' ' LEU . 31.6 p90 -107.05 -27.26 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -52.05 124.0 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 30.9 t -51.93 115.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.94 -45.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 19.7 p -116.52 -26.12 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.33 64.39 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.45 136.53 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -119.83 139.41 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -116.07 158.71 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 9.4 p -61.76 -38.7 88.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -132.2 150.36 52.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 16.7 p -66.52 -25.17 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 11.4 m -52.54 -56.15 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -68.94 -36.99 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 681' ' ' TYR . 30.4 tp -51.96 -43.85 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.36 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -70.8 -26.88 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -58.54 -22.38 55.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -51.84 -47.24 64.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.68 -30.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -93.11 -70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 7.8 t -93.93 153.71 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 176.85 -75.43 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.4 122.14 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -173.81 68.87 0.33 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -175.18 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 23.3 t -71.23 -56.37 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -140.47 177.54 20.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.52 33.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.641 2.227 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 3.0 m -54.71 -56.12 22.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 27.4 m -77.09 77.71 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.475 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 4.2 m -129.99 -45.18 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.4 t -79.87 173.93 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 88.36 21.54 44.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.9 p -122.55 115.23 21.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 30.7 t -155.82 160.83 40.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 111.62 116.49 3.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 18.5 m -86.98 -40.49 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 95.87 67.58 0.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 85.54 -158.14 32.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? 53.26 69.34 2.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.55 0.69 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -44.77 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.428 ' O ' HD21 ' A' ' 696' ' ' LEU . 34.6 p90 -111.45 -26.35 9.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.741 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 45.0 tt0 -51.96 129.22 26.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.06 132.08 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -106.18 -26.19 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -52.09 -45.52 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.2 -26.32 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.45 64.65 1.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -137.18 133.36 35.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.741 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -114.11 153.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -128.19 172.59 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 16.5 m -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -143.19 -177.41 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.9 p -86.98 -26.3 23.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 21.1 m -52.18 -45.76 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -79.81 -33.6 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.2 tp -55.24 -40.43 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.82 -33.67 56.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -74.65 -34.31 62.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.6 t60 -64.71 -29.02 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.61 -22.32 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 701' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 704' ' ' THR . 15.4 mmm180 -51.84 -46.99 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.2 m -52.65 -28.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -103.92 57.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 704' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 701' ' ' ARG . 32.4 p -115.77 114.42 24.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -173.43 83.85 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.463 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.25 65.82 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -166.61 69.09 1.05 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -35.22 13.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.349 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 4.6 t 62.31 46.28 6.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 160.41 173.79 29.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 5.6 t -91.51 144.59 25.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 6.1 t -113.22 142.13 46.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.485 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 60.5 p -120.69 117.14 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.816 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.4 m -78.98 106.6 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 168.66 44.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.0 m -100.55 138.88 37.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 15.2 m -71.93 92.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -105.49 55.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.0 t -145.76 150.9 37.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 91.8 166.85 40.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 151.62 139.31 2.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -158.59 69.55 3.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -46.36 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.66 ' O ' HD21 ' A' ' 696' ' ' LEU . 36.1 p90 -107.84 -26.95 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.557 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 47.3 tt0 -52.08 127.11 20.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.06 124.69 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -101.71 -26.0 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -52.06 -45.41 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 24.2 p -116.55 -26.27 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.74 61.25 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -134.91 131.77 37.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.557 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -109.54 153.08 24.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.91 165.87 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 57.2 m -63.03 -45.53 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -126.68 165.45 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.6 p -76.52 -25.2 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.4 m -54.29 -67.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.61 -36.6 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.0 tp -57.1 -45.62 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.55 -33.0 53.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.83 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.729 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.8 t60 -69.48 -35.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -58.69 -22.18 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -51.79 -48.76 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -54.17 -27.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -91.98 -26.3 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 2.0 t -151.11 112.72 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 150.06 -158.19 27.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 59.74 42.35 16.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 68.79 1.04 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.583 0.706 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -29.36 24.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.387 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 6.0 p -76.74 129.45 36.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -138.06 74.98 0.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -28.02 25.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.634 2.223 . . . . 0.0 112.375 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.4 m -145.3 131.16 19.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 24.3 p -130.4 115.61 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.498 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.4 p -116.28 134.36 54.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 36.8 p -132.75 172.0 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -145.04 171.1 26.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 84.2 p -94.45 120.38 34.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 14.6 m -100.51 82.28 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 110.05 -55.75 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 2.2 m 60.84 31.55 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.356 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -110.48 45.66 1.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -105.67 -60.97 0.62 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -133.02 69.91 78.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.536 0.684 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -46.04 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.611 ' O ' HD21 ' A' ' 696' ' ' LEU . 33.8 p90 -111.89 -26.41 8.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.14 129.84 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.98 126.63 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -101.41 -26.27 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.02 -45.55 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.35 -26.4 7.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.19 56.95 1.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -131.27 135.68 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -113.85 154.01 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -127.48 159.61 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.3 m -58.98 -30.48 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.14 176.13 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.1 p -89.7 -26.09 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.5 m -52.85 -57.84 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -67.01 -30.45 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.611 HD21 ' O ' ' A' ' 681' ' ' TYR . 32.6 tp -60.99 -43.39 98.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.22 -33.99 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.0 -26.35 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.731 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.0 t60 -70.37 -35.78 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -58.9 -22.01 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -51.82 -47.26 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -54.99 -27.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -92.32 -72.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 10.6 t -87.3 149.1 24.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -151.12 -95.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.23 127.9 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -170.23 69.73 0.58 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.39 24.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 3.5 m -109.2 108.63 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -84.7 -72.21 1.3 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 150.5 68.52 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 4.2 m -65.53 -73.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 6.0 t 60.57 40.74 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 3.4 p -82.89 -177.66 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.834 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 66.7 m -82.75 173.74 11.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 150.61 168.82 15.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.2 m -135.77 165.38 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 1.1 m -53.87 123.07 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -111.11 114.53 3.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 32.8 p -132.82 168.59 18.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 172.16 -60.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 96.42 174.0 35.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 37.6 mttp 53.49 68.97 2.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.586 0.708 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -48.25 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.405 ' O ' HD21 ' A' ' 696' ' ' LEU . 54.0 p90 -109.41 -28.35 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.51 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 47.0 tt0 -51.93 123.27 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 29.0 t -52.0 120.04 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.54 -26.24 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.01 -44.69 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -115.92 -26.26 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.2 57.43 1.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -130.18 133.02 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.51 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -111.81 142.8 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.23 150.26 40.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.9 p -58.9 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -142.86 142.34 31.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 10.9 p -58.8 -25.16 62.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 t -52.93 -45.81 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -78.69 -27.59 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 681' ' ' TYR . 35.4 tp -62.64 -39.03 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.48 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.83 -30.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.5 t60 -71.68 -34.93 70.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.95 -21.97 59.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -51.84 -44.17 63.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.2 m -56.5 -29.34 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -99.27 40.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 14.8 t -175.64 158.29 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -175.37 -125.83 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 52.32 40.2 28.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -169.2 70.41 0.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.694 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 120.02 6.88 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.417 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 41.0 p -92.43 103.76 16.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -71.96 177.15 39.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 170.58 16.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.4 p -163.68 150.37 11.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 46.6 t -67.07 120.04 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.492 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 79.6 p -159.04 114.6 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 t -117.92 128.28 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.811 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 149.55 95.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.6 t -149.29 144.28 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 1.2 p -152.21 112.0 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -165.32 55.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 2.1 p -110.71 102.47 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.323 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 130.68 133.22 3.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -174.32 130.78 1.86 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp 58.22 70.83 1.14 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.563 0.697 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -45.69 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.626 ' O ' HD21 ' A' ' 696' ' ' LEU . 44.7 p90 -111.99 -27.62 8.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.472 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 47.6 tt0 -52.13 129.22 27.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.8 t -51.96 128.4 24.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -104.38 -26.28 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.13 -47.51 65.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.0 p -114.44 -26.2 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.14 54.59 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -127.46 138.92 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.472 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -115.75 151.98 34.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -127.87 167.59 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 25.8 m -61.74 -52.87 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -122.7 163.22 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 1.8 p -74.4 -26.28 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 65.2 m -52.64 -56.81 12.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -69.11 -33.41 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.5 tp -55.16 -42.69 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.9 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -60.05 -35.87 76.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.706 ' O ' HG22 ' A' ' 702' ' ' VAL . 75.5 t60 -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.93 -21.87 58.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -51.94 -41.2 61.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -58.74 -30.28 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -101.23 38.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 77.6 p -150.9 148.48 28.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 112.08 26.34 4.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -112.39 45.89 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.65 73.52 0.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.573 0.702 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 125.04 11.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.64 2.227 . . . . 0.0 112.399 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 5.8 m -81.4 69.61 8.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 179.62 176.12 46.94 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.1 8.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.2 p -84.15 172.97 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 33.2 m -98.81 134.46 41.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.499 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 8.7 t -93.72 54.86 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 5.9 p -72.92 156.43 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 141.76 -148.23 19.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 16.5 m -142.35 154.41 44.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 17.2 p -86.45 -37.71 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 160.17 -175.74 36.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.8 98.66 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -100.34 128.06 9.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -108.07 37.31 3.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -128.02 71.43 78.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.549 0.69 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -45.89 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.552 ' O ' HD21 ' A' ' 696' ' ' LEU . 44.0 p90 -114.72 -28.04 7.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.517 ' HG3' ' HB2' ' A' ' 689' ' ' ALA . 11.3 tt0 -51.96 126.33 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.2 t -52.0 118.66 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -95.23 -25.57 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -52.0 -53.02 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.8 p -108.58 -26.69 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.81 62.56 1.02 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -133.23 143.09 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 689' ' ' ALA . . . . . 0.517 ' HB2' ' HG3' ' A' ' 682' ' ' GLN . . . -128.1 132.51 48.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -110.84 159.53 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 28.1 p -60.31 -45.16 94.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -123.12 148.82 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 27.0 p -68.42 -25.17 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 13.2 p -52.54 -53.83 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.57 -35.88 75.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 681' ' ' TYR . 29.4 tp -54.31 -43.33 71.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.74 -34.76 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -73.94 -28.16 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 79.0 t60 -71.71 -35.9 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -58.93 -21.95 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -51.87 -42.76 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -57.76 -30.27 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -92.18 -71.33 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 10.1 t -85.27 154.63 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 169.28 71.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.434 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -52.05 136.25 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -173.27 70.97 0.38 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.94 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.2 m -52.51 -39.0 60.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -90.39 174.89 40.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 161.68 44.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 9.3 p -69.58 134.09 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 2.7 p -54.36 122.69 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.478 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 80.0 p -93.7 124.17 37.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 14.2 t -106.43 89.99 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -62.57 -91.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 12.0 p -84.26 177.72 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 2.1 t -154.24 129.48 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 109.42 -178.27 20.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 70.7 p -78.62 128.59 33.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 139.33 77.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -83.61 122.48 5.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -124.1 68.29 46.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.506 0.67 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.4 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.287 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -112.83 -26.13 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -51.99 132.29 32.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.22 116.07 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -88.08 -24.6 23.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -51.95 -43.57 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.49 -32.54 4.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 100.85 40.03 2.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -108.58 124.89 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -112.48 118.04 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.4 148.48 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 2.6 t -59.07 -26.54 64.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.67 158.79 42.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 19.5 p -82.5 -24.98 33.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 35.2 t -52.15 -48.08 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -74.95 -27.91 60.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.09 -36.63 84.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.84 -50.74 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -66.18 -30.8 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -63.12 -32.03 73.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -58.75 -22.19 57.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -54.39 -26.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -102.93 30.9 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 31.5 m -119.5 137.66 53.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 164.16 -101.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -130.83 131.66 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -169.06 68.55 0.68 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -24.32 29.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 3.6 m 56.39 26.7 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -112.23 176.78 18.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.08 66.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 30.4 m -80.53 -48.26 13.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 3.1 m -157.11 141.47 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.49 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 37.9 t -86.22 -45.33 11.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.375 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.0 t -171.97 123.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -143.9 99.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 49.0 p -158.38 160.45 36.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.4 m -153.06 155.63 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 162.8 124.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.3 140.16 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 63.34 -104.4 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 137.07 103.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -119.29 69.36 10.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.549 0.69 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -43.68 2.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 681' ' ' TYR . . . . . 0.597 ' O ' HD21 ' A' ' 696' ' ' LEU . 33.1 p90 -115.73 -26.82 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -51.97 126.17 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 121.97 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -100.38 -25.73 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -52.0 -45.94 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.1 p -116.57 -26.19 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.35 58.03 1.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -126.58 137.37 53.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -121.65 131.6 54.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -108.12 167.92 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 51.0 p -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -140.45 161.51 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 18.1 p -76.84 -27.32 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 m -52.07 -52.38 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -73.58 -30.41 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 696' ' ' LEU . . . . . 0.597 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.7 tp -59.31 -45.88 90.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.23 -32.27 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -73.99 -28.57 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 79.7 t60 -75.28 -35.88 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.98 -21.87 59.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -51.91 -41.69 62.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.0 m -59.48 -30.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -91.77 -71.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 14.8 t -84.23 158.43 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 89.71 68.57 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -113.2 87.3 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -169.91 69.38 0.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -27.53 26.48 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.393 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.7 p -62.66 156.7 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -101.46 -175.57 28.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.44 37.54 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.636 2.224 . . . . 0.0 112.383 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.5 m -62.26 -56.15 21.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.8 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 60.4 p -98.48 149.97 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.487 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.259 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.641 ' O ' HD21 ' A' ' 696' ' ' LEU . 34.9 p90 -113.52 -27.51 7.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.2 129.74 28.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.1 t -53.71 128.63 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.54 -26.52 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -52.22 -54.92 24.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.1 p -106.91 -27.6 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.24 50.46 2.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -121.87 134.57 54.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -111.88 156.39 22.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -133.84 149.85 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.8 p -54.96 -46.14 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -122.65 146.38 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 9.3 p -62.01 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.2 t -52.35 -61.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -60.83 -31.64 71.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.1 tp -64.58 -39.24 93.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.02 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -73.27 -33.39 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.4 t60 -59.49 -34.12 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.34 -22.63 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -51.84 -45.74 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.71 -30.25 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.21 0 CA-C-O 120.76 0.233 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.483 ' O ' HD21 ' A' ' 696' ' ' LEU . 41.8 p90 -112.63 -27.75 8.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -51.99 126.76 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.0 117.88 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -96.08 -25.4 15.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -52.0 -46.62 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.65 -26.62 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 98.29 37.68 4.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.02 137.23 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -122.49 162.87 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -146.77 170.17 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 63.0 p -72.95 -46.18 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -123.91 149.79 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 12.2 p -65.84 -25.39 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.8 t -53.17 -50.24 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -72.21 -30.73 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.483 HD21 ' O ' ' A' ' 681' ' ' TYR . 28.0 tp -61.36 -39.5 90.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.4 64.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -79.04 -26.16 43.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 702' ' ' VAL . 73.0 t60 -72.91 -35.69 67.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -58.19 -22.81 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -51.82 -43.45 63.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.0 m -53.02 -30.26 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.806 0.253 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.437 ' O ' HD21 ' A' ' 696' ' ' LEU . 37.5 p90 -108.47 -28.16 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.643 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 50.5 tt0 -52.07 130.05 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 45.2 t -52.13 130.34 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -105.52 -26.19 12.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -52.18 -48.32 65.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.3 p -114.48 -26.39 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 96.94 40.77 3.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.85 137.09 42.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.643 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -123.86 159.29 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -141.98 164.74 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 65.6 m -73.31 -28.65 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -138.1 147.92 44.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.5 p -63.02 -25.49 68.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 44.6 t -52.5 -55.98 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.43 81.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 681' ' ' TYR . 24.4 tp -59.31 -40.4 86.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.31 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.32 -34.86 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.712 ' O ' HG22 ' A' ' 702' ' ' VAL . 75.5 t60 -61.01 -32.43 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.52 -22.44 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -51.81 -47.17 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.66 -30.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.781 0.242 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.585 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.4 p90 -116.62 -31.6 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.635 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 38.0 tt0 -52.07 128.45 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.04 137.57 27.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -110.58 -26.46 9.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.17 -48.79 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.2 p -116.47 -26.19 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.21 60.73 1.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -130.43 130.49 44.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.635 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -105.39 163.69 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.18 157.1 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.1 m -57.51 -34.51 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -142.03 155.65 45.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 4.6 p -68.12 -25.35 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.4 t -52.44 -52.41 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.22 -31.06 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.585 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.7 tp -59.49 -41.3 89.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.57 -37.53 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -73.58 -35.32 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.719 ' O ' HG22 ' A' ' 702' ' ' VAL . 76.5 t60 -60.7 -32.07 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -58.55 -22.45 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.66 -30.24 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.822 0.259 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.566 ' O ' HD21 ' A' ' 696' ' ' LEU . 48.3 p90 -114.4 -27.05 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -52.02 121.13 6.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 t -52.41 117.92 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -93.39 -26.17 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.1 -43.42 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 27.4 p -116.75 -26.98 6.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.43 39.46 5.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -110.31 156.37 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -132.57 155.15 49.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -134.08 144.24 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.6 t -57.67 -27.53 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -134.42 143.86 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 5.3 p -69.05 -25.44 64.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.79 -55.8 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -66.15 -32.79 74.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.566 HD21 ' O ' ' A' ' 681' ' ' TYR . 29.4 tp -60.13 -41.19 92.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.93 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -73.49 -33.32 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 702' ' ' VAL . 76.2 t60 -64.78 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -58.54 -22.35 55.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -51.93 -47.43 64.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.64 -30.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.781 0.242 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.558 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.2 p90 -116.2 -26.46 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.547 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 6.1 tt0 -52.02 124.51 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 32.9 t -51.99 115.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -90.03 -26.04 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -52.04 -43.79 63.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.76 -28.27 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.13 45.29 3.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -115.69 158.26 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.547 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -134.08 160.84 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.54 157.26 46.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 6.6 t -52.67 -40.28 62.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -136.46 169.59 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.87 -25.18 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.2 p -52.12 -59.04 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -64.28 -34.86 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.558 HD21 ' O ' ' A' ' 681' ' ' TYR . 26.6 tp -58.02 -41.0 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.18 62.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.1 t60 -57.04 -32.08 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.61 -22.37 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -51.88 -47.57 64.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.7 -30.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.752 0.23 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.681 ' O ' HD21 ' A' ' 696' ' ' LEU . 31.3 p90 -115.63 -27.22 7.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -51.97 131.47 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 49.6 t -52.0 129.35 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -105.07 -26.13 12.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -52.05 -46.3 65.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.65 -27.1 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.74 47.76 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -116.26 134.22 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -116.97 145.6 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -125.13 179.79 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 11.1 p -69.2 -70.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -105.37 159.25 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.5 p -65.08 -25.63 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.6 t -53.79 -71.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -52.24 -35.18 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.681 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.5 tp -59.37 -40.79 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -58.06 -31.66 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -75.01 -26.78 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -73.26 -36.05 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.51 -22.46 55.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -51.82 -47.71 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.66 -30.18 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.818 0.258 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.653 ' O ' HD21 ' A' ' 696' ' ' LEU . 42.7 p90 -111.48 -30.22 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.693 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 54.6 tt0 -52.07 128.25 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 38.1 t -52.32 122.1 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -98.21 -26.13 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.04 -45.46 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -115.0 -26.59 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.79 57.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -132.66 129.75 39.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.693 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -109.66 129.63 55.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.89 165.01 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 54.5 m -62.64 -59.31 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -111.17 150.42 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 11.0 p -64.61 -25.15 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.1 p -53.54 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -58.05 -38.69 76.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.653 HD21 ' O ' ' A' ' 681' ' ' TYR . 26.6 tp -53.97 -45.56 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.75 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -74.2 -32.12 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.729 ' O ' HG22 ' A' ' 702' ' ' VAL . 82.1 t60 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -58.56 -22.39 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -51.88 -47.94 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.68 -30.1 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.807 0.253 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.603 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.7 p90 -108.45 -27.51 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.558 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 53.4 tt0 -52.06 129.8 28.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.0 126.82 19.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -102.81 -25.95 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -51.97 -45.9 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.2 p -116.46 -26.25 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.16 49.63 2.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -120.52 132.04 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.558 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -110.54 163.03 14.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.45 162.77 34.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 23.3 m -69.02 -33.01 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -136.44 159.74 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.3 p -75.22 -26.36 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.2 t -52.44 -58.63 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -65.2 -40.6 94.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.603 HD21 ' O ' ' A' ' 681' ' ' TYR . 28.7 tp -51.93 -43.55 63.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.94 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.27 -27.66 56.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 702' ' ' VAL . 72.7 t60 -70.35 -33.15 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -58.61 -22.39 56.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -51.83 -47.82 64.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.74 -30.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.768 0.237 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.591 ' O ' HD21 ' A' ' 696' ' ' LEU . 41.4 p90 -106.35 -26.35 11.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.641 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 43.0 tt0 -52.01 130.06 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.0 135.36 30.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -108.38 -26.51 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.15 -55.44 20.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 25.3 p -106.86 -27.39 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.02 67.63 1.26 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -143.57 124.29 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.641 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -101.8 152.14 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -124.45 177.38 5.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 10.2 p -67.08 -53.92 26.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.65 161.87 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 45.2 p -69.68 -25.42 63.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.3 p -52.2 -59.0 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -66.34 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.591 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.6 tp -61.66 -39.88 92.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.95 -39.63 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.12 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.721 ' O ' HG22 ' A' ' 702' ' ' VAL . 74.8 t60 -70.08 -34.4 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.5 -22.42 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -51.8 -46.75 64.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -52.39 -30.29 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.806 0.252 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.77 -27.12 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.567 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 46.1 tt0 -52.15 128.29 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.7 130.68 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -105.88 -26.16 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.03 -46.09 64.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.4 -26.22 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.24 66.56 1.16 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -138.75 124.5 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.567 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -103.56 157.33 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -135.75 151.58 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 37.1 t -58.59 -39.38 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.91 145.43 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 22.6 p -62.56 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.7 t -52.29 -47.39 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -74.92 -29.01 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.1 tp -63.68 -39.48 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.48 66.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -73.55 -29.98 62.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.6 t60 -68.09 -30.66 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.65 -22.3 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -51.92 -47.59 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -52.04 -29.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.793 0.247 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.582 ' O ' HD21 ' A' ' 696' ' ' LEU . 31.6 p90 -107.05 -27.26 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 15.5 tt0 -52.05 124.0 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 30.9 t -51.93 115.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.94 -45.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 19.7 p -116.52 -26.12 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.33 64.39 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.45 136.53 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.429 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -119.83 139.41 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -116.07 158.71 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 9.4 p -61.76 -38.7 88.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -132.2 150.36 52.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 16.7 p -66.52 -25.17 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 11.4 m -52.54 -56.15 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -68.94 -36.99 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 681' ' ' TYR . 30.4 tp -51.96 -43.85 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.36 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -70.8 -26.88 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -58.54 -22.38 55.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -51.84 -47.24 64.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.68 -30.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.795 0.248 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.428 ' O ' HD21 ' A' ' 696' ' ' LEU . 34.6 p90 -111.45 -26.35 9.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.741 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 45.0 tt0 -51.96 129.22 26.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.06 132.08 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -106.18 -26.19 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -52.09 -45.52 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.2 -26.32 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.45 64.65 1.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -137.18 133.36 35.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.741 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -114.11 153.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -128.19 172.59 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 16.5 m -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -143.19 -177.41 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.9 p -86.98 -26.3 23.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 21.1 m -52.18 -45.76 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -79.81 -33.6 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.2 tp -55.24 -40.43 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.82 -33.67 56.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -74.65 -34.31 62.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.6 t60 -64.71 -29.02 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.61 -22.32 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -51.84 -46.99 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.2 m -52.65 -28.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.77 0.238 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.66 ' O ' HD21 ' A' ' 696' ' ' LEU . 36.1 p90 -107.84 -26.95 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.557 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 47.3 tt0 -52.08 127.11 20.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.06 124.69 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -101.71 -26.0 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -52.06 -45.41 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 24.2 p -116.55 -26.27 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.74 61.25 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -134.91 131.77 37.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.557 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -109.54 153.08 24.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.91 165.87 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 57.2 m -63.03 -45.53 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -126.68 165.45 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.6 p -76.52 -25.2 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.4 m -54.29 -67.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.61 -36.6 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.0 tp -57.1 -45.62 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.55 -33.0 53.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.83 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.729 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.8 t60 -69.48 -35.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -58.69 -22.18 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -51.79 -48.76 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -54.17 -27.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.791 0.246 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.611 ' O ' HD21 ' A' ' 696' ' ' LEU . 33.8 p90 -111.89 -26.41 8.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.14 129.84 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.98 126.63 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -101.41 -26.27 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.02 -45.55 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.35 -26.4 7.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.19 56.95 1.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -131.27 135.68 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -113.85 154.01 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -127.48 159.61 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.3 m -58.98 -30.48 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.14 176.13 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.1 p -89.7 -26.09 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.5 m -52.85 -57.84 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -67.01 -30.45 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.611 HD21 ' O ' ' A' ' 681' ' ' TYR . 32.6 tp -60.99 -43.39 98.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.22 -33.99 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.0 -26.35 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.731 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.0 t60 -70.37 -35.78 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -58.9 -22.01 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -51.82 -47.26 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -54.99 -27.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.813 0.256 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.405 ' O ' HD21 ' A' ' 696' ' ' LEU . 54.0 p90 -109.41 -28.35 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.51 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 47.0 tt0 -51.93 123.27 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 29.0 t -52.0 120.04 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.54 -26.24 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.01 -44.69 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -115.92 -26.26 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.2 57.43 1.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -130.18 133.02 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.51 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -111.81 142.8 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.23 150.26 40.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.9 p -58.9 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -142.86 142.34 31.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 10.9 p -58.8 -25.16 62.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 t -52.93 -45.81 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -78.69 -27.59 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 681' ' ' TYR . 35.4 tp -62.64 -39.03 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.48 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.83 -30.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.5 t60 -71.68 -34.93 70.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.95 -21.97 59.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -51.84 -44.17 63.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.2 m -56.5 -29.34 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.835 0.265 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.626 ' O ' HD21 ' A' ' 696' ' ' LEU . 44.7 p90 -111.99 -27.62 8.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.472 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 47.6 tt0 -52.13 129.22 27.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.8 t -51.96 128.4 24.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -104.38 -26.28 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.13 -47.51 65.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.0 p -114.44 -26.2 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.14 54.59 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -127.46 138.92 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.472 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -115.75 151.98 34.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -127.87 167.59 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 25.8 m -61.74 -52.87 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -122.7 163.22 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 1.8 p -74.4 -26.28 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 65.2 m -52.64 -56.81 12.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -69.11 -33.41 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.5 tp -55.16 -42.69 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.9 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -60.05 -35.87 76.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.706 ' O ' HG22 ' A' ' 702' ' ' VAL . 75.5 t60 -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.93 -21.87 58.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -51.94 -41.2 61.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -58.74 -30.28 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.774 0.239 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.552 ' O ' HD21 ' A' ' 696' ' ' LEU . 44.0 p90 -114.72 -28.04 7.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.517 ' HG3' ' HB2' ' A' ' 689' ' ' ALA . 11.3 tt0 -51.96 126.33 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.2 t -52.0 118.66 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -95.23 -25.57 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -52.0 -53.02 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.8 p -108.58 -26.69 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.81 62.56 1.02 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -133.23 143.09 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . 0.517 ' HB2' ' HG3' ' A' ' 682' ' ' GLN . . . -128.1 132.51 48.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -110.84 159.53 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 28.1 p -60.31 -45.16 94.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -123.12 148.82 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 27.0 p -68.42 -25.17 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 13.2 p -52.54 -53.83 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.57 -35.88 75.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 681' ' ' TYR . 29.4 tp -54.31 -43.33 71.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.74 -34.76 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -73.94 -28.16 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 79.0 t60 -71.71 -35.9 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -58.93 -21.95 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -51.87 -42.76 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -57.76 -30.27 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.743 0.226 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -112.83 -26.13 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -51.99 132.29 32.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.22 116.07 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -88.08 -24.6 23.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -51.95 -43.57 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.49 -32.54 4.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 100.85 40.03 2.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -108.58 124.89 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -112.48 118.04 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.4 148.48 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 2.6 t -59.07 -26.54 64.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.67 158.79 42.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 19.5 p -82.5 -24.98 33.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 35.2 t -52.15 -48.08 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -74.95 -27.91 60.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.09 -36.63 84.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.84 -50.74 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -66.18 -30.8 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -63.12 -32.03 73.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -58.75 -22.19 57.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -54.39 -26.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.776 0.24 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' TYR . . . . . 0.597 ' O ' HD21 ' A' ' 696' ' ' LEU . 33.1 p90 -115.73 -26.82 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -51.97 126.17 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 121.97 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -100.38 -25.73 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -52.0 -45.94 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.1 p -116.57 -26.19 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.35 58.03 1.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -126.58 137.37 53.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -121.65 131.6 54.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -108.12 167.92 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 51.0 p -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -140.45 161.51 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 18.1 p -76.84 -27.32 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 m -52.07 -52.38 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -73.58 -30.41 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' LEU . . . . . 0.597 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.7 tp -59.31 -45.88 90.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.23 -32.27 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -73.99 -28.57 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 79.7 t60 -75.28 -35.88 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.98 -21.87 59.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -51.91 -41.69 62.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.0 m -59.48 -30.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 29.7 t -96.73 142.31 28.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.376 . . . . 0.0 110.84 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 65.0 m -104.05 91.59 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -138.53 176.24 20.94 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.8 m -128.29 117.58 21.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 32.3 t -116.62 -51.06 2.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -144.22 48.73 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 9.3 t -113.94 41.63 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.169 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 111.92 134.51 6.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 156.09 -74.34 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -123.05 72.73 46.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.96 2.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.641 ' O ' HD21 ' A' ' 696' ' ' LEU . 34.9 p90 -113.52 -27.51 7.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.2 129.74 28.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.1 t -53.71 128.63 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.54 -26.52 13.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -52.22 -54.92 24.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.1 p -106.91 -27.6 10.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.24 50.46 2.41 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -121.87 134.57 54.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.728 0.299 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -111.88 156.39 22.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -133.84 149.85 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.8 p -54.96 -46.14 75.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -122.65 146.38 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 9.3 p -62.01 -26.01 67.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.2 t -52.35 -61.99 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -60.83 -31.64 71.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.1 tp -64.58 -39.24 93.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.02 70.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -73.27 -33.39 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.703 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.4 t60 -59.49 -34.12 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.34 -22.63 53.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 704' ' ' THR . 10.2 mmm180 -51.84 -45.74 64.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.71 -30.25 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -98.96 38.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 701' ' ' ARG . 0.8 OUTLIER -68.15 141.91 55.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 171.98 161.92 23.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.434 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -80.67 165.59 21.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -173.94 70.51 0.34 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.569 0.699 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 137.89 36.47 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 94.9 p -167.64 131.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -85.94 176.28 48.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 127.13 14.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 60.0 p -144.55 127.38 16.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 51.5 p -129.9 125.33 35.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.476 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 38.7 t -172.34 163.49 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.5 t -163.26 120.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.811 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 103.82 46.72 1.35 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 59.8 p -89.97 142.87 27.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 86.8 p -95.86 124.25 39.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 158.09 47.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 39.8 m -144.53 109.38 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.113 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -57.46 177.0 1.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 147.84 -98.11 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -121.5 70.21 24.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.567 0.698 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -45.06 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.483 ' O ' HD21 ' A' ' 696' ' ' LEU . 41.8 p90 -112.63 -27.75 8.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -51.99 126.76 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.0 117.88 3.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -96.08 -25.4 15.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -52.0 -46.62 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -116.65 -26.62 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 98.29 37.68 4.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.02 137.23 41.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -122.49 162.87 20.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -146.77 170.17 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 63.0 p -72.95 -46.18 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -123.91 149.79 45.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 12.2 p -65.84 -25.39 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.8 t -53.17 -50.24 65.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -72.21 -30.73 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.483 HD21 ' O ' ' A' ' 681' ' ' TYR . 28.0 tp -61.36 -39.5 90.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.57 -31.4 64.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -79.04 -26.16 43.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.683 ' O ' HG22 ' A' ' 702' ' ' VAL . 73.0 t60 -72.91 -35.69 67.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -58.19 -22.81 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -51.82 -43.45 63.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.0 m -53.02 -30.26 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -96.88 -68.89 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 9.0 t -88.28 153.95 20.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 99.77 30.3 6.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.39 153.77 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -172.18 68.44 0.42 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.6 0.714 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.29 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 59.6 m -115.85 -68.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 84.15 73.37 1.26 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -23.2 31.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 3.9 t -105.73 70.78 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 42.3 t -64.04 -52.79 57.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.485 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 1.3 p -169.52 149.95 4.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.5 m -122.5 95.97 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -140.85 41.88 1.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.5 m -159.72 155.72 26.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 27.3 t -59.31 136.43 57.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 159.57 118.81 0.52 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 7.2 m -94.2 79.34 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 111.104 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 160.42 -167.5 35.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 134.96 -155.2 21.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -137.73 69.4 51.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -47.6 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.437 ' O ' HD21 ' A' ' 696' ' ' LEU . 37.5 p90 -108.47 -28.16 9.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.643 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 50.5 tt0 -52.07 130.05 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 45.2 t -52.13 130.34 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -105.52 -26.19 12.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -52.18 -48.32 65.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.3 p -114.48 -26.39 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 96.94 40.77 3.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.85 137.09 42.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.643 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -123.86 159.29 29.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -141.98 164.74 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 65.6 m -73.31 -28.65 62.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -138.1 147.92 44.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.5 p -63.02 -25.49 68.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 44.6 t -52.5 -55.98 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.43 81.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 681' ' ' TYR . 24.4 tp -59.31 -40.4 86.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.97 -45.31 67.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.32 -34.86 76.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.712 ' O ' HG22 ' A' ' 702' ' ' VAL . 75.5 t60 -61.01 -32.43 72.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.52 -22.44 55.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -51.81 -47.17 64.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.66 -30.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -100.63 38.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 2.6 m -127.63 125.07 39.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -168.1 -98.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -97.02 75.6 2.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.375 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -166.4 68.75 1.08 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.612 0.72 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -36.75 10.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 33.4 p -66.69 127.15 31.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 158.93 -170.15 35.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.54 65.69 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 50.8 m -97.16 116.7 29.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.33 99.42 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 5.2 p -99.82 160.84 14.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.1 m -157.36 165.26 36.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -102.74 68.89 0.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 62.5 p -85.27 170.34 12.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.5 p -87.37 110.67 20.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -151.14 80.84 0.19 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 2.7 m -132.72 124.17 27.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -135.7 -65.58 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 72.88 -102.91 1.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt 53.92 68.3 2.91 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.546 0.689 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -48.1 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.224 . . . . 0.0 112.331 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.585 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.4 p90 -116.62 -31.6 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.635 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 38.0 tt0 -52.07 128.45 24.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.04 137.57 27.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -110.58 -26.46 9.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -52.17 -48.79 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.2 p -116.47 -26.19 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.21 60.73 1.45 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -130.43 130.49 44.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.635 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -105.39 163.69 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.18 157.1 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.1 m -57.51 -34.51 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -142.03 155.65 45.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 4.6 p -68.12 -25.35 65.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.4 t -52.44 -52.41 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -72.22 -31.06 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.585 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.7 tp -59.49 -41.3 89.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.57 -37.53 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -73.58 -35.32 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.719 ' O ' HG22 ' A' ' 702' ' ' VAL . 76.5 t60 -60.7 -32.07 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -58.55 -22.45 55.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.66 -30.24 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -100.71 38.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 6.7 t -80.28 137.16 36.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -109.63 157.62 14.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -107.46 88.56 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -171.16 70.66 0.51 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.53 0.681 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 90.96 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 6.1 t -102.45 69.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 167.44 169.65 31.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.549 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -19.57 35.97 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.753 2.302 . . . . 0.0 112.311 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 2.1 m 58.89 51.31 7.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.815 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 1.3 m -68.55 -44.83 73.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.476 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.3 t -158.27 105.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.0 m -141.86 146.45 35.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -63.33 -92.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 13.0 t -142.66 157.42 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 13.7 m -148.24 165.77 29.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 99.64 47.65 1.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 3.5 t -105.87 -26.31 11.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 111.194 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -162.9 179.63 38.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -177.27 -135.55 2.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -139.07 71.21 41.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.702 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -46.71 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.566 ' O ' HD21 ' A' ' 696' ' ' LEU . 48.3 p90 -114.4 -27.05 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -52.02 121.13 6.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.9 t -52.41 117.92 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -93.39 -26.17 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.1 -43.42 63.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 27.4 p -116.75 -26.98 6.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.43 39.46 5.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -110.31 156.37 20.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -132.57 155.15 49.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -134.08 144.24 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 5.6 t -57.67 -27.53 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -134.42 143.86 47.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 5.3 p -69.05 -25.44 64.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.79 -55.8 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -66.15 -32.79 74.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.566 HD21 ' O ' ' A' ' 681' ' ' TYR . 29.4 tp -60.13 -41.19 92.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.1 -38.93 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -73.49 -33.32 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 702' ' ' VAL . 76.2 t60 -64.78 -32.65 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -58.54 -22.35 55.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -51.93 -47.43 64.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -51.64 -30.35 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -101.12 37.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 2.3 m -125.39 82.84 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -106.39 -142.91 11.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -101.29 130.43 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -170.52 70.94 0.57 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.568 0.699 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 133.37 25.33 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.268 . . . . 0.0 112.351 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 12.1 t -96.55 -50.27 4.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 130.85 -167.83 22.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 92.2 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 18.5 t -66.37 96.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 8.9 p 53.76 29.14 9.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.458 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 70.8 m -115.5 166.01 12.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 63.6 m -66.01 133.75 51.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 135.4 -43.15 1.27 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.3 p -132.58 178.56 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 60.6 m -125.17 88.47 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 157.32 -140.67 7.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 3.5 m -73.05 114.14 10.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.354 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -135.14 97.61 0.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -102.64 171.84 21.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm 55.08 68.64 2.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.31 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.558 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.2 p90 -116.2 -26.46 7.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.547 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 6.1 tt0 -52.02 124.51 13.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 32.9 t -51.99 115.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -90.03 -26.04 20.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -52.04 -43.79 63.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.76 -28.27 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.13 45.29 3.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -115.69 158.26 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.547 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -134.08 160.84 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -138.54 157.26 46.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 6.6 t -52.67 -40.28 62.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -136.46 169.59 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.87 -25.18 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.2 p -52.12 -59.04 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -64.28 -34.86 79.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.558 HD21 ' O ' ' A' ' 681' ' ' TYR . 26.6 tp -58.02 -41.0 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.18 62.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.47 -37.36 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.1 t60 -57.04 -32.08 65.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -58.61 -22.37 56.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -51.88 -47.57 64.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.7 -30.32 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -101.11 38.28 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 10.5 t -84.12 145.27 28.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -162.77 170.77 38.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -129.36 147.95 51.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -167.69 68.94 0.88 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.681 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -35.89 11.83 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.715 2.277 . . . . 0.0 112.28 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 4.6 m -73.86 122.21 22.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 171.52 173.5 38.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 117.14 4.91 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.328 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 6.5 t -63.66 -50.9 67.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 54.89 28.02 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.492 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 1.9 m -166.23 148.57 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.5 t -71.78 -67.79 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -178.76 -175.14 45.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.3 m -126.17 95.08 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 40.7 t -104.71 -45.13 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -134.91 140.08 11.41 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 6.2 t -113.98 -25.19 8.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.877 0.37 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 101.81 119.6 4.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -162.85 25.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -122.06 69.32 28.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -43.72 2.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.304 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.681 ' O ' HD21 ' A' ' 696' ' ' LEU . 31.3 p90 -115.63 -27.22 7.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -51.97 131.47 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 49.6 t -52.0 129.35 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -105.07 -26.13 12.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -52.05 -46.3 65.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.65 -27.1 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.74 47.76 2.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -116.26 134.22 55.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -116.97 145.6 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -125.13 179.79 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 11.1 p -69.2 -70.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -105.37 159.25 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.5 p -65.08 -25.63 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 2.6 t -53.79 -71.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -52.24 -35.18 49.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.681 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.5 tp -59.37 -40.79 87.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -58.06 -31.66 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -75.01 -26.78 59.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -73.26 -36.05 66.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . 0.478 ' O ' HG22 ' A' ' 704' ' ' THR . 52.2 mt-30 -58.51 -22.46 55.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -51.82 -47.71 64.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.66 -30.18 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -92.6 -70.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 700' ' ' GLN . 15.1 t -53.65 155.16 3.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -167.78 -106.66 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -82.5 130.54 35.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -173.9 72.46 0.35 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 128.66 16.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 26.0 t -78.54 103.57 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 144.35 -169.08 26.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.67 48.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 7.6 p -102.38 88.1 3.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 4.2 m -73.27 161.07 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.08 -0.844 . . . . 0.0 112.487 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 5.6 m -77.31 123.27 26.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.1 m -92.34 165.14 13.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 105.81 41.28 1.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 4.0 m -113.63 92.74 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 39.9 p -85.99 121.46 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -131.93 87.77 0.28 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 13.8 t -93.94 146.83 23.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 103.62 172.57 25.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 179.11 -107.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 56.36 69.48 1.79 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -47.47 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.653 ' O ' HD21 ' A' ' 696' ' ' LEU . 42.7 p90 -111.48 -30.22 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.693 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 54.6 tt0 -52.07 128.25 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 38.1 t -52.32 122.1 8.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -98.21 -26.13 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -52.04 -45.46 64.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.9 p -115.0 -26.59 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.79 57.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -132.66 129.75 39.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.693 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -109.66 129.63 55.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -102.89 165.01 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 54.5 m -62.64 -59.31 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.808 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -111.17 150.42 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 11.0 p -64.61 -25.15 67.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.1 p -53.54 -65.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -58.05 -38.69 76.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.653 HD21 ' O ' ' A' ' 681' ' ' TYR . 26.6 tp -53.97 -45.56 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.75 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -74.2 -32.12 62.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.729 ' O ' HG22 ' A' ' 702' ' ' VAL . 82.1 t60 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -58.56 -22.39 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 704' ' ' THR . 19.2 mmm180 -51.88 -47.94 64.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.68 -30.1 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -100.37 54.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 701' ' ' ARG . 0.9 OUTLIER -53.97 -59.65 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 75.66 95.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -104.27 114.09 28.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.952 0.406 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -173.26 70.8 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.566 0.698 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -22.27 32.48 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.8 p -72.48 143.99 48.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 161.51 71.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -28.88 24.91 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.727 2.285 . . . . 0.0 112.345 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 22.8 m -85.54 157.79 20.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 4.0 m -111.49 90.11 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.501 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 9.8 p -167.37 165.02 15.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 36.9 t -157.83 157.9 34.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -132.32 -157.81 8.73 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 29.6 m -105.43 97.63 7.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.5 m -80.71 84.9 6.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 101.12 -143.28 16.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.3 m -90.87 -48.15 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 111.169 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 68.7 147.15 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.431 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 141.41 54.78 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.534 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -150.78 69.1 8.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.701 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -44.88 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.241 . . . . 0.0 112.323 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.603 ' O ' HD21 ' A' ' 696' ' ' LEU . 46.7 p90 -108.45 -27.51 9.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.558 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 53.4 tt0 -52.06 129.8 28.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.1 t -52.0 126.82 19.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -102.81 -25.95 13.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -51.97 -45.9 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.2 p -116.46 -26.25 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.16 49.63 2.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -120.52 132.04 54.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.558 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -110.54 163.03 14.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.45 162.77 34.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 23.3 m -69.02 -33.01 72.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -136.44 159.74 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 21.3 p -75.22 -26.36 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.2 t -52.44 -58.63 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -65.2 -40.6 94.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.603 HD21 ' O ' ' A' ' 681' ' ' TYR . 28.7 tp -51.93 -43.55 63.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.98 -32.94 62.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.27 -27.66 56.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.726 ' O ' HG22 ' A' ' 702' ' ' VAL . 72.7 t60 -70.35 -33.15 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . 0.634 ' O ' HG22 ' A' ' 704' ' ' THR . 47.8 mt-30 -58.61 -22.39 56.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 69.7 mmt-85 -51.83 -47.82 64.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -51.74 -30.13 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -92.83 -71.39 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 700' ' ' GLN . 8.8 t -52.33 157.7 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 133.14 -38.53 1.85 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.52 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -82.2 125.27 30.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.387 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -169.91 69.8 0.62 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 105.26 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.297 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.4 t -149.31 152.31 35.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -82.44 -178.2 52.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -178.96 2.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.355 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.2 m -119.24 66.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 3.3 p -170.31 171.91 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 3.9 m -125.37 162.03 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 25.7 m 54.45 42.99 31.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -144.38 74.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.443 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 20.7 m -96.69 105.39 17.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 12.5 p -153.77 169.72 22.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 141.16 -25.17 2.52 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.554 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 21.1 p -93.16 153.51 18.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -132.37 57.59 0.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.521 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -107.62 -94.41 2.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -173.6 68.38 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -47.55 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.373 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.591 ' O ' HD21 ' A' ' 696' ' ' LEU . 41.4 p90 -106.35 -26.35 11.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.641 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 43.0 tt0 -52.01 130.06 28.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.0 135.36 30.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -108.38 -26.51 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.15 -55.44 20.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 25.3 p -106.86 -27.39 10.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 89.02 67.63 1.26 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -143.57 124.29 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.641 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -101.8 152.14 21.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -124.45 177.38 5.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 10.2 p -67.08 -53.92 26.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.65 161.87 26.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 45.2 p -69.68 -25.42 63.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.3 p -52.2 -59.0 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -66.34 -30.88 71.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.591 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.6 tp -61.66 -39.88 92.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.95 -39.63 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.12 63.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.721 ' O ' HG22 ' A' ' 702' ' ' VAL . 74.8 t60 -70.08 -34.4 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.5 -22.42 55.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -51.8 -46.75 64.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -52.39 -30.29 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -100.85 35.22 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 27.6 m -126.05 131.25 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 177.14 -113.76 0.44 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -94.17 52.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -171.19 68.55 0.48 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.524 0.678 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 84.2 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.645 2.23 . . . . 0.0 112.381 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 14.7 m -85.67 89.76 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 100.56 -172.93 24.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.16 22.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.5 t -71.62 107.18 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 49.9 m -92.6 88.2 6.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.489 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.3 m -98.23 161.66 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 9.8 m -78.53 -57.7 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -142.92 87.52 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.2 p -66.54 116.8 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 4.5 m -142.27 147.88 37.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -169.94 120.6 0.88 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 72.3 m -131.63 133.97 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 106.68 54.26 0.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -145.53 27.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 55.31 71.85 1.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.708 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -43.94 2.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.77 -27.12 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.567 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 46.1 tt0 -52.15 128.29 24.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 52.4 t -53.7 130.68 37.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -105.88 -26.16 11.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.03 -46.09 64.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.4 -26.22 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.24 66.56 1.16 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -138.75 124.5 19.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.753 0.311 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.567 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -103.56 157.33 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.042 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -135.75 151.58 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 37.1 t -58.59 -39.38 80.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -132.91 145.43 50.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 22.6 p -62.56 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 1.7 t -52.29 -47.39 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -74.92 -29.01 60.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 28.1 tp -63.68 -39.48 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.63 -38.48 66.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -73.55 -29.98 62.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.723 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.6 t60 -68.09 -30.66 69.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -58.65 -22.3 56.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . 0.414 ' O ' HG23 ' A' ' 704' ' ' THR . 13.9 mmm-85 -51.92 -47.59 64.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -52.04 -29.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -103.05 56.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 701' ' ' ARG . 17.0 p -110.62 93.98 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -85.75 -151.48 16.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -98.14 77.53 2.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.34 70.45 0.43 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.563 0.696 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -19.59 36.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.679 2.252 . . . . 0.0 112.399 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 7.1 t -163.84 170.82 16.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 132.29 -74.2 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -26.34 27.51 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.328 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 26.1 t -140.38 159.52 42.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 48.3 m -102.88 132.22 49.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.501 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 2.5 t -84.94 165.27 17.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.4 t -73.56 159.13 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -135.63 112.11 0.96 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 4.7 t -128.77 -175.1 3.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.939 0.399 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 81.9 p -148.64 125.27 11.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 99.49 102.03 2.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 24.4 p -104.4 38.12 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 169.49 81.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -98.13 104.23 2.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -175.85 68.88 0.25 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.37 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.743 2.295 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.582 ' O ' HD21 ' A' ' 696' ' ' LEU . 31.6 p90 -107.05 -27.26 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 15.5 tt0 -52.05 124.0 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 30.9 t -51.93 115.0 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.94 -45.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 19.7 p -116.52 -26.12 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.33 64.39 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.45 136.53 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.429 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -119.83 139.41 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -116.07 158.71 22.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 9.4 p -61.76 -38.7 88.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -132.2 150.36 52.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 16.7 p -66.52 -25.17 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 11.4 m -52.54 -56.15 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -68.94 -36.99 78.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.582 HD21 ' O ' ' A' ' 681' ' ' TYR . 30.4 tp -51.96 -43.85 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.18 -37.36 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -70.8 -26.88 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -58.54 -22.38 55.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -51.84 -47.24 64.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -51.68 -30.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -93.11 -70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 7.8 t -93.93 153.71 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.171 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 176.85 -75.43 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.4 122.14 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -173.81 68.87 0.33 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -175.18 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 23.3 t -71.23 -56.37 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -140.47 177.54 20.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.52 33.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.641 2.227 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 3.0 m -54.71 -56.12 22.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 27.4 m -77.09 77.71 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.475 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 4.2 m -129.99 -45.18 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.4 t -79.87 173.93 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 88.36 21.54 44.36 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.9 p -122.55 115.23 21.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 30.7 t -155.82 160.83 40.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 111.62 116.49 3.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 18.5 m -86.98 -40.49 14.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 111.16 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 95.87 67.58 0.98 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 85.54 -158.14 32.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? 53.26 69.34 2.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.55 0.69 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -44.77 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.428 ' O ' HD21 ' A' ' 696' ' ' LEU . 34.6 p90 -111.45 -26.35 9.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.741 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 45.0 tt0 -51.96 129.22 26.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 54.1 t -52.06 132.08 32.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -106.18 -26.19 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -52.09 -45.52 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -116.2 -26.32 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.45 64.65 1.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -137.18 133.36 35.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.741 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -114.11 153.42 29.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -128.19 172.59 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 16.5 m -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -143.19 -177.41 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.9 p -86.98 -26.3 23.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 21.1 m -52.18 -45.76 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -79.81 -33.6 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.2 tp -55.24 -40.43 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.82 -33.67 56.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -74.65 -34.31 62.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 77.6 t60 -64.71 -29.02 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.61 -22.32 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 704' ' ' THR . 15.4 mmm180 -51.84 -46.99 64.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.2 m -52.65 -28.91 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -103.92 57.07 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 701' ' ' ARG . 32.4 p -115.77 114.42 24.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -173.43 83.85 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.463 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.25 65.82 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -166.61 69.09 1.05 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -35.22 13.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.349 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 4.6 t 62.31 46.28 6.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 160.41 173.79 29.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 5.6 t -91.51 144.59 25.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 6.1 t -113.22 142.13 46.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.485 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 60.5 p -120.69 117.14 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.816 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.4 m -78.98 106.6 11.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 168.66 44.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.0 m -100.55 138.88 37.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 15.2 m -71.93 92.89 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -105.49 55.95 0.54 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 10.0 t -145.76 150.9 37.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.822 0.344 . . . . 0.0 111.158 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 91.8 166.85 40.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 151.62 139.31 2.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -158.59 69.55 3.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -46.36 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.66 ' O ' HD21 ' A' ' 696' ' ' LEU . 36.1 p90 -107.84 -26.95 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.557 ' NE2' ' HB2' ' A' ' 689' ' ' ALA . 47.3 tt0 -52.08 127.11 20.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.06 124.69 13.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -101.71 -26.0 13.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -52.06 -45.41 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 24.2 p -116.55 -26.27 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 90.74 61.25 1.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -134.91 131.77 37.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.557 ' HB2' ' NE2' ' A' ' 682' ' ' GLN . . . -109.54 153.08 24.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.91 165.87 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 57.2 m -63.03 -45.53 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -126.68 165.45 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 81.6 p -76.52 -25.2 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.4 m -54.29 -67.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.61 -36.6 67.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.0 tp -57.1 -45.62 83.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.55 -33.0 53.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.83 59.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.729 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.8 t60 -69.48 -35.09 75.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -58.69 -22.18 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -51.79 -48.76 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.4 m -54.17 -27.15 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -91.98 -26.3 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 2.0 t -151.11 112.72 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 150.06 -158.19 27.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 59.74 42.35 16.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 68.79 1.04 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.583 0.706 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -29.36 24.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.387 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 6.0 p -76.74 129.45 36.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -138.06 74.98 0.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -28.02 25.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.634 2.223 . . . . 0.0 112.375 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.4 m -145.3 131.16 19.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 24.3 p -130.4 115.61 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.498 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 83.4 p -116.28 134.36 54.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 36.8 p -132.75 172.0 13.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -145.04 171.1 26.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 84.2 p -94.45 120.38 34.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 14.6 m -100.51 82.28 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 110.05 -55.75 0.49 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 2.2 m 60.84 31.55 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.356 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -110.48 45.66 1.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -105.67 -60.97 0.62 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -133.02 69.91 78.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.536 0.684 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -46.04 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.611 ' O ' HD21 ' A' ' 696' ' ' LEU . 33.8 p90 -111.89 -26.41 8.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -52.14 129.84 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 44.2 t -51.98 126.63 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -101.41 -26.27 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.02 -45.55 64.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 29.4 p -115.35 -26.4 7.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.19 56.95 1.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -131.27 135.68 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -113.85 154.01 28.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -127.48 159.61 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.3 m -58.98 -30.48 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.14 176.13 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 6.1 p -89.7 -26.09 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 58.5 m -52.85 -57.84 8.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -67.01 -30.45 70.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.611 HD21 ' O ' ' A' ' 681' ' ' TYR . 32.6 tp -60.99 -43.39 98.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.22 -33.99 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 -76.0 -26.35 56.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.731 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.0 t60 -70.37 -35.78 73.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -58.9 -22.01 58.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -51.82 -47.26 64.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -54.99 -27.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -92.32 -72.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 10.6 t -87.3 149.1 24.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -151.12 -95.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -56.23 127.9 33.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -170.23 69.73 0.58 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.39 24.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 3.5 m -109.2 108.63 19.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -84.7 -72.21 1.3 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 150.5 68.52 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.636 2.224 . . . . 0.0 112.367 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 4.2 m -65.53 -73.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 6.0 t 60.57 40.74 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 3.4 p -82.89 -177.66 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 0.0 110.834 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 66.7 m -82.75 173.74 11.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 150.61 168.82 15.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.2 m -135.77 165.38 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.882 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 1.1 m -53.87 123.07 11.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -111.11 114.53 3.71 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 32.8 p -132.82 168.59 18.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.849 0.357 . . . . 0.0 111.123 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 172.16 -60.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 96.42 174.0 35.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 37.6 mttp 53.49 68.97 2.49 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.586 0.708 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -48.25 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.405 ' O ' HD21 ' A' ' 696' ' ' LEU . 54.0 p90 -109.41 -28.35 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.51 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 47.0 tt0 -51.93 123.27 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 29.0 t -52.0 120.04 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.54 -26.24 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.01 -44.69 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 20.2 p -115.92 -26.26 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.2 57.43 1.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -130.18 133.02 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.51 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -111.81 142.8 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -119.23 150.26 40.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 3.9 p -58.9 -31.26 68.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -142.86 142.34 31.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 10.9 p -58.8 -25.16 62.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 t -52.93 -45.81 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -78.69 -27.59 45.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.405 HD21 ' O ' ' A' ' 681' ' ' TYR . 35.4 tp -62.64 -39.03 92.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -55.11 -46.48 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.83 -30.28 70.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 702' ' ' VAL . 78.5 t60 -71.68 -34.93 70.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -58.95 -21.97 59.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -51.84 -44.17 63.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.2 m -56.5 -29.34 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -99.27 40.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 14.8 t -175.64 158.29 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . -175.37 -125.83 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 52.32 40.2 28.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -169.2 70.41 0.7 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.556 0.694 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 120.02 6.88 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.417 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 41.0 p -92.43 103.76 16.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -71.96 177.15 39.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 170.58 16.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.4 p -163.68 150.37 11.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 46.6 t -67.07 120.04 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.492 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 79.6 p -159.04 114.6 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 t -117.92 128.28 54.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.811 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 149.55 95.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.6 t -149.29 144.28 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.902 0.382 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 1.2 p -152.21 112.0 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . -165.32 55.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 2.1 p -110.71 102.47 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.323 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 130.68 133.22 3.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -174.32 130.78 1.86 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp 58.22 70.83 1.14 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.563 0.697 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -45.69 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.626 ' O ' HD21 ' A' ' 696' ' ' LEU . 44.7 p90 -111.99 -27.62 8.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.472 ' CD ' ' HB2' ' A' ' 689' ' ' ALA . 47.6 tt0 -52.13 129.22 27.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 47.8 t -51.96 128.4 24.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -104.38 -26.28 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -52.13 -47.51 65.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 21.0 p -114.44 -26.2 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 91.14 54.59 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -127.46 138.92 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.472 ' HB2' ' CD ' ' A' ' 682' ' ' GLN . . . -115.75 151.98 34.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -127.87 167.59 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 25.8 m -61.74 -52.87 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -122.7 163.22 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 1.8 p -74.4 -26.28 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 65.2 m -52.64 -56.81 12.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -69.11 -33.41 73.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 681' ' ' TYR . 27.5 tp -55.16 -42.69 73.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.9 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -60.05 -35.87 76.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.706 ' O ' HG22 ' A' ' 702' ' ' VAL . 75.5 t60 -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.93 -21.87 58.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -51.94 -41.2 61.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -58.74 -30.28 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -101.23 38.69 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 77.6 p -150.9 148.48 28.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 112.08 26.34 4.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -112.39 45.89 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.65 73.52 0.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.573 0.702 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 125.04 11.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.64 2.227 . . . . 0.0 112.399 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 5.8 m -81.4 69.61 8.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . 179.62 176.12 46.94 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.1 8.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.2 p -84.15 172.97 11.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 33.2 m -98.81 134.46 41.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.499 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 8.7 t -93.72 54.86 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.845 0.355 . . . . 0.0 110.828 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 5.9 p -72.92 156.43 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . 141.76 -148.23 19.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 16.5 m -142.35 154.41 44.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 17.2 p -86.45 -37.71 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 160.17 -175.74 36.92 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.8 98.66 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 111.16 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . -100.34 128.06 9.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -108.07 37.31 3.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -128.02 71.43 78.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.549 0.69 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -45.89 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.552 ' O ' HD21 ' A' ' 696' ' ' LEU . 44.0 p90 -114.72 -28.04 7.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.517 ' HG3' ' HB2' ' A' ' 689' ' ' ALA . 11.3 tt0 -51.96 126.33 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.2 t -52.0 118.66 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -95.23 -25.57 16.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -52.0 -53.02 46.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.8 p -108.58 -26.69 10.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 94.81 62.56 1.02 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -133.23 143.09 48.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.824 0.345 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . 0.517 ' HB2' ' HG3' ' A' ' 682' ' ' GLN . . . -128.1 132.51 48.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -110.84 159.53 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 28.1 p -60.31 -45.16 94.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -123.12 148.82 45.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 27.0 p -68.42 -25.17 64.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 13.2 p -52.54 -53.83 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -69.57 -35.88 75.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 681' ' ' TYR . 29.4 tp -54.31 -43.33 71.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -53.74 -34.76 59.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -73.94 -28.16 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 79.0 t60 -71.71 -35.9 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -58.93 -21.95 58.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -51.87 -42.76 62.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.1 m -57.76 -30.27 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -92.18 -71.33 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 10.1 t -85.27 154.63 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 169.28 71.04 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.434 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -52.05 136.25 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -173.27 70.97 0.38 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.94 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.2 m -52.51 -39.0 60.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -90.39 174.89 40.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 161.68 44.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 9.3 p -69.58 134.09 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 2.7 p -54.36 122.69 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.478 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 80.0 p -93.7 124.17 37.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 14.2 t -106.43 89.99 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -62.57 -91.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 12.0 p -84.26 177.72 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 2.1 t -154.24 129.48 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 109.42 -178.27 20.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 70.7 p -78.62 128.59 33.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.155 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 139.33 77.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . -83.61 122.48 5.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -124.1 68.29 46.28 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.506 0.67 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.4 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.287 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -112.83 -26.13 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -51.99 132.29 32.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.22 116.07 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -88.08 -24.6 23.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -51.95 -43.57 63.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 26.6 p -119.49 -32.54 4.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 100.85 40.03 2.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -108.58 124.89 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -112.48 118.04 34.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -98.4 148.48 23.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 2.6 t -59.07 -26.54 64.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.67 158.79 42.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 19.5 p -82.5 -24.98 33.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 35.2 t -52.15 -48.08 65.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -74.95 -27.91 60.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.09 -36.63 84.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -56.84 -50.74 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -66.18 -30.8 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.742 ' O ' HG22 ' A' ' 702' ' ' VAL . 80.4 t60 -63.12 -32.03 73.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -58.75 -22.19 57.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -51.84 -48.78 63.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.3 m -54.39 -26.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -102.93 30.9 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 31.5 m -119.5 137.66 53.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 164.16 -101.21 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -130.83 131.66 44.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -169.06 68.55 0.68 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -24.32 29.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 3.6 m 56.39 26.7 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -112.23 176.78 18.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.08 66.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 30.4 m -80.53 -48.26 13.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 3.1 m -157.11 141.47 16.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.49 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 37.9 t -86.22 -45.33 11.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.375 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.0 t -171.97 123.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' GLY . . . . . . . . . . . . . . . -143.9 99.56 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 49.0 p -158.38 160.45 36.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' SER . . . . . . . . . . . . . 3.4 m -153.06 155.63 37.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 162.8 124.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.3 140.16 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' GLY . . . . . . . . . . . . . . . 63.34 -104.4 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 137.07 103.35 0.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -119.29 69.36 10.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.549 0.69 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -43.68 2.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.363 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' TYR . . . . . 0.597 ' O ' HD21 ' A' ' 696' ' ' LEU . 33.1 p90 -115.73 -26.82 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -51.97 126.17 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 35.1 t -52.0 121.97 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -100.38 -25.73 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -52.0 -45.94 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' CYS . . . . . . . . . . . . . 22.1 p -116.57 -26.19 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' GLY . . . . . . . . . . . . . . . 93.35 58.03 1.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -126.58 137.37 53.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.322 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' ALA . . . . . . . . . . . . . . . -121.65 131.6 54.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -108.12 167.92 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 51.0 p -70.22 -29.74 66.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -140.45 161.51 37.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' THR . . . . . . . . . . . . . 18.1 p -76.84 -27.32 55.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' SER . . . . . . . . . . . . . 3.6 m -52.07 -52.38 51.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -73.58 -30.41 63.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' LEU . . . . . 0.597 HD21 ' O ' ' A' ' 681' ' ' TYR . 31.7 tp -59.31 -45.88 90.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -54.23 -32.27 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -73.99 -28.57 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' HIS . . . . . 0.718 ' O ' HG22 ' A' ' 702' ' ' VAL . 79.7 t60 -75.28 -35.88 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.98 -21.87 59.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -51.91 -41.69 62.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 699' ' ' HIS . 18.0 m -59.48 -30.3 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -91.77 -71.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' THR . . . . . . . . . . . . . 14.8 t -84.23 158.43 21.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' GLY . . . . . . . . . . . . . . . 89.71 68.57 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -113.2 87.3 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -169.91 69.38 0.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 708' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -27.53 26.48 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.393 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.7 p -62.66 156.7 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . -101.46 -175.57 28.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.44 37.54 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.636 2.224 . . . . 0.0 112.383 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 1.5 m -62.26 -56.15 21.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.8 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' SER . . . . . . . . . . . . . 60.4 p -98.48 149.97 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.487 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_