data_2do7_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 2do7 _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 ' 828' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 832' ' ' ILE . 16.0 ttm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -40.84 -39.38 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -69.28 -47.11 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -52.3 -41.16 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 828' ' ' ARG . 4.1 mp -73.42 -71.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -41.27 -37.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.38 -49.47 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . 0.464 ' O ' ' CD1' ' A' ' 839' ' ' ILE . . . -60.15 -33.87 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 45.5 mt -69.99 -54.48 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 75.2 t -55.95 -41.22 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.078 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.02 -45.78 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 835' ' ' ALA . 24.2 mt -66.6 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.418 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.4 mmm -48.02 -52.25 20.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.529 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 32.2 ttpt -48.45 -61.44 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 64.6 mmm -51.98 -36.65 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.1 mmt180 -101.05 93.63 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.7 mmmp? -34.35 -45.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' THR . . . . . 0.42 HG21 ' CD ' ' A' ' 890' ' ' GLN . 30.5 m -140.98 117.68 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -130.41 153.01 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 8.0 m -95.7 177.46 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . 0.532 ' CD2' HG13 ' A' ' 852' ' ' VAL . 26.0 t60 -61.73 -55.02 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -53.75 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.75 -33.84 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.63 -69.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.532 HG13 ' CD2' ' A' ' 848' ' ' HIS . 28.3 m -44.27 -37.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.412 ' N ' HG23 ' A' ' 852' ' ' VAL . 39.4 t -65.38 -55.69 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.21 -54.0 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 39.8 t -47.59 -54.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 13.6 m-85 -51.64 -44.66 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.79 -32.97 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -80.16 -24.11 40.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.414 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 8.6 mt -105.62 117.71 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -80.71 12.13 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 859' ' ' LEU . 11.1 p90 -131.2 145.98 60.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.99 22.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 97.4 t -110.66 147.37 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -75.11 155.32 86.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.81 13.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.284 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.17 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.35 -53.26 25.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 29.4 tp -50.24 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.05 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -51.98 -47.12 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -55.29 -48.39 74.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 873' ' ' GLU . 52.1 mt -57.94 -69.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 872' ' ' ILE . 52.0 mt-10 -36.98 -60.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 47.2 m -46.21 -64.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 75.0 mt -41.98 -49.94 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 30.8 mt -52.53 -44.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -79.23 -12.7 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -86.92 26.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.98 48.18 18.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -125.84 -37.03 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 93.6 mmm -142.23 149.07 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.21 144.6 50.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.75 128.23 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -61.29 122.97 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -38.75 -38.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.27 -65.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.73 144.0 23.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.672 0.748 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.45 4.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -78.38 -20.95 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . 0.42 ' CD ' HG21 ' A' ' 845' ' ' THR . 15.0 tt0 -107.44 132.57 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -120.75 133.92 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -104.57 157.73 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 895' ' ' ALA . 73.6 t80 -86.42 135.41 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.8 pt -129.93 -33.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.72 0.295 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.1 pt20 -47.08 -30.32 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.461 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.6 m-85 -76.06 -35.18 59.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . 0.427 HG13 ' CD1' ' A' ' 859' ' ' LEU . 4.1 mp -70.82 -56.63 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -53.02 -38.67 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.46 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.76 58.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . 0.463 HG23 ' CD1' ' A' ' 875' ' ' LEU . 67.6 mt -61.34 -62.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 84.3 t -44.07 -39.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -69.34 -53.46 19.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 855' ' ' VAL . 40.1 mt -55.28 -52.69 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.437 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.1 mmm -58.85 -50.02 75.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.496 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 31.1 ttpt -48.26 -57.44 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 13.4 mmt -54.07 -48.23 70.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.8 mmm180 -90.57 99.11 12.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 27.7 mmtp -34.38 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 63.1 m -141.54 136.16 30.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.4 tp -148.57 164.58 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 31.9 m -109.35 178.59 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -63.55 -53.02 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -42.32 -63.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.93 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 12.0 tp -41.24 -66.58 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.51 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 28.1 m -60.1 -34.64 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 8.4 t -55.87 -57.4 12.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . 0.421 ' CB ' HD11 ' A' ' 839' ' ' ILE . 6.1 mm-40 -57.98 -50.18 74.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . 0.423 ' N ' HD11 ' A' ' 839' ' ' ILE . 55.3 t -44.68 -53.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 43.7 m-85 -57.85 -47.87 81.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -54.61 -28.97 50.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -83.5 -41.29 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.427 ' CD1' HG13 ' A' ' 832' ' ' ILE . 14.6 mt -83.81 130.93 34.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -22.12 62.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -114.62 149.93 43.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.18 67.91 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.83 140.47 35.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -64.47 158.02 68.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -40.75 4.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.8 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 868' ' ' LEU . 42.3 m-20 -58.23 -62.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 867' ' ' ASP . 24.6 tp -34.45 -56.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -55.18 -48.52 73.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 871' ' ' ARG . 71.8 mttt -55.53 -68.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . 0.437 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -36.72 -48.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 63.2 mt -53.93 -68.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.29 -59.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 43.8 m -42.49 -60.32 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 836' ' ' ILE . 59.1 mt -46.39 -44.56 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 891' ' ' TYR . 80.6 mt -60.07 -33.1 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.47 -11.34 49.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -86.81 27.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 55.13 37.09 28.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -114.9 -36.8 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.437 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 91.8 mmm -142.21 148.7 38.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 11.3 pt-20 -118.34 148.84 42.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -87.61 127.16 35.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.48 118.78 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 885' ' ' LYS . 0.0 OUTLIER -42.11 -32.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.03 -50.26 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 2.6 t-20 -154.51 141.23 13.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.8 -12.36 32.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.21 -39.27 86.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.41 130.98 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 22.5 m-85 -118.87 144.99 46.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 24.1 m-80 -110.99 161.8 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.497 ' CE1' ' HB1' ' A' ' 895' ' ' ALA . 30.9 t80 -90.07 129.86 36.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 2.2 pt -120.69 -35.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.497 ' HB1' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 831' ' ' GLN . 17.0 mtm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.735 0.302 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -39.63 -33.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.493 ' O ' ' CB ' ' A' ' 834' ' ' ALA . 38.0 m-85 -75.22 -40.82 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 828' ' ' ARG . 7.8 mm100 -59.73 -47.43 85.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.24 -60.43 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.18 -41.81 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -58.16 -55.73 31.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.54 -48.32 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . 0.403 ' CG2' ' SD ' ' A' ' 840' ' ' MET . 70.8 mt -55.67 -65.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 38.9 t -42.59 -48.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -59.89 -46.65 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 18.3 mt -62.79 -64.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 843' ' ' ARG . 8.0 mtt -49.48 -59.62 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 840' ' ' MET . 63.0 tttt -37.5 -46.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 2.6 mmt -70.81 -40.02 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 840' ' ' MET . 28.4 mmt180 -95.15 95.31 8.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 843' ' ' ARG . 28.7 mmtm -35.77 -43.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 90.3 m -137.95 132.32 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.9 tp -146.97 148.34 31.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.2 m -94.53 174.75 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -59.12 -60.49 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -48.11 -54.32 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -35.47 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.66 -69.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . . . . . . . . . 32.8 m -49.89 -32.08 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 40.1 t -63.9 -51.54 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.47 -46.74 80.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 84.7 t -55.65 -58.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.54 -40.24 90.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -71.63 -40.27 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 12.3 mt -93.15 116.83 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -84.48 19.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . 0.556 ' CE2' HG22 ' A' ' 863' ' ' VAL . 18.1 p90 -129.61 151.0 77.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.01 22.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.556 HG22 ' CE2' ' A' ' 861' ' ' PHE . 73.8 t -120.23 110.16 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -38.34 152.81 0.16 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -34.25 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.43 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -65.09 -54.21 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.39 -62.14 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -50.27 -52.66 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -52.29 -46.97 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -51.72 -52.19 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 78.6 mt -53.07 -58.8 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -47.04 -57.74 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 11.1 m -46.11 -61.74 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 29.3 mt -43.25 -50.9 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.01 -40.08 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.77 -15.92 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -84.76 16.91 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.71 50.36 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . 0.435 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 39.0 m-85 -122.94 -25.48 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.433 ' N ' HD12 ' A' ' 894' ' ' ILE . 71.8 mmm -149.13 161.87 41.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.3 pt-20 -133.82 139.96 46.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -76.52 119.41 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -51.33 127.32 19.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -49.61 -29.87 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.12 -68.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -133.64 143.35 47.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 1.12 4.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -88.64 -25.13 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -96.36 133.53 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -122.42 147.6 46.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.4 m-80 -117.05 160.14 21.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.403 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 31.9 t80 -88.03 138.16 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . 0.435 ' CG1' ' C ' ' A' ' 880' ' ' TYR . 3.1 pt -129.88 -42.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 894' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 831' ' ' GLN . 7.2 ttm105 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.733 0.301 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -38.58 -32.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.466 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.4 m-85 -75.88 -42.63 48.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 828' ' ' ARG . 9.4 mm-40 -55.2 -43.44 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.3 mp -73.09 -62.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -49.04 -40.14 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.02 68.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.06 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 93.7 mt -57.67 -60.3 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 87.3 t -52.01 -53.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -55.06 -49.1 72.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.0 mt -66.15 -68.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.418 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.9 mmm -40.4 -44.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -55.77 -54.36 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.6 mmm -56.8 -42.41 79.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 844' ' ' LYS . 9.4 mmm180 -96.4 101.2 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 843' ' ' ARG . 23.5 mmtm -35.6 -44.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 30.9 m -137.55 134.62 35.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.4 tp -145.76 148.15 32.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 59.2 p -99.69 -178.08 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . 0.504 ' CD2' HG13 ' A' ' 852' ' ' VAL . 13.7 t60 -64.77 -53.34 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -51.76 -55.93 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.4 -38.72 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.8 -67.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.504 HG13 ' CD2' ' A' ' 848' ' ' HIS . 30.8 m -46.48 -42.19 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 852' ' ' VAL . 40.1 t -54.06 -58.69 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.42 -55.89 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 60.1 t -39.51 -59.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -55.08 -40.15 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.47 -37.65 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.67 -35.68 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.491 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 11.7 mt -93.2 116.44 29.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -84.7 22.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 863' ' ' VAL . 34.8 p90 -133.66 152.25 78.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.18 22.85 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.558 HG22 ' CE2' ' A' ' 861' ' ' PHE . 87.4 t -117.97 116.25 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -48.48 153.35 1.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.37 12.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.333 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.79 -60.89 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 868' ' ' LEU . 0.9 OUTLIER -54.35 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 867' ' ' ASP . 33.0 tp -35.13 -56.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -50.94 -50.42 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 871' ' ' ARG . 45.9 mttm -55.53 -66.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -37.2 -47.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.17 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -49.62 -59.77 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 4.1 m -43.7 -58.09 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -48.68 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.547 HD13 ' CE1' ' A' ' 891' ' ' TYR . 77.4 mt -54.62 -37.72 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.52 -14.12 57.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . 0.431 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 27.0 mtp85 -84.59 25.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.16 47.84 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 42.2 m-85 -124.46 -37.82 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 90.5 mmm -137.59 158.46 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 4.9 pt-20 -127.38 141.11 51.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.74 118.66 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 885' ' ' LYS . 32.5 t0 -48.26 112.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 884' ' ' ASP . 30.6 mtpt -34.44 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.76 -61.37 2.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -141.99 143.76 29.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.79 -11.82 31.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -67.63 -36.42 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -96.39 127.33 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.547 ' CE1' HD13 ' A' ' 876' ' ' ILE . 13.7 m-85 -113.29 154.41 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 37.1 m-80 -123.05 155.88 36.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -82.12 129.21 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.24 -35.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.787 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.762 0.315 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -39.57 -41.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -67.22 -44.68 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -54.44 -45.07 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.9 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 833' ' ' ASP . 21.0 t0 -39.25 -41.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -65.4 -55.46 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -51.15 -40.42 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.44 -57.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 31.6 t -55.55 -31.98 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -74.68 -32.19 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 20.5 mt -79.0 -50.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.469 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.3 mmm -60.93 -46.22 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -51.69 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 8.6 mmt -53.4 -38.57 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.2 mmm180 -97.26 95.0 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.2 mmtm -34.32 -44.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 17.8 m -142.18 124.54 15.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.13 161.25 36.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 1.2 t -102.13 176.34 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.0 -60.88 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -50.08 -46.28 53.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.6 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 40.4 tp -69.46 -68.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.454 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 21.3 m -41.71 -43.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.7 t -60.3 -54.11 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -54.51 -49.5 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.38 -49.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 21.5 m-85 -53.8 -42.6 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -67.66 -31.47 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -75.47 -28.94 59.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.19 124.63 45.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -63.08 -13.93 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -123.04 148.46 54.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 147.52 63.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 72.4 t -116.42 129.88 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -56.07 155.26 12.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.89 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -54.33 -61.49 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -53.94 -62.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 17.0 tp -41.31 -58.23 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -47.81 -50.86 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.23 -41.53 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.46 -47.69 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.99 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -43.82 -60.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 t -42.87 -59.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.57 -48.1 28.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 58.2 mt -54.68 -37.49 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.22 -13.37 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -88.33 32.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.85 48.61 22.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -124.5 -32.26 3.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 82.6 mmm -150.25 146.75 26.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.98 144.86 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -78.78 132.18 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -67.57 114.75 6.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -40.39 -33.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.33 -66.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.6 t-20 -135.69 140.21 33.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.747 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.4 Cg_endo -69.81 -6.84 19.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.273 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -79.97 -12.72 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -108.66 140.65 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -133.28 139.04 46.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -109.12 155.69 20.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.414 ' CE1' ' HB1' ' A' ' 895' ' ' ALA . 68.9 t80 -82.81 135.02 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.8 pt -128.83 -41.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 894' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 831' ' ' GLN . 20.3 tpp85 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 7.0 pt20 -40.91 -31.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.434 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 34.6 m-85 -78.23 -37.7 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 15.6 mt-30 -60.39 -47.03 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.74 -54.48 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -54.08 -36.19 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.25 -50.1 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.04 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . 0.464 ' CG2' ' SD ' ' A' ' 840' ' ' MET . 57.3 mt -62.41 -59.02 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.25 -37.51 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -64.02 -43.06 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 43.9 mt -70.35 -57.04 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.464 ' SD ' ' CG2' ' A' ' 836' ' ' ILE . 5.3 mtt -55.44 -59.52 4.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 840' ' ' MET . 41.9 tttm -36.53 -58.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.6 mtt -62.6 -38.29 89.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 844' ' ' LYS . 36.2 mmt180 -93.98 96.9 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 843' ' ' ARG . 61.1 mmtt -36.72 -47.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.2 m -138.55 123.46 18.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . 0.401 ' HG ' ' CB ' ' A' ' 850' ' ' LEU . 9.5 tp -135.57 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 71.5 m -93.15 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -66.49 -38.56 87.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.47 -48.16 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 850' ' ' LEU . 2.7 mm? -63.2 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 66.3 tp -68.82 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 853' ' ' SER . 33.8 m -45.57 -45.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 852' ' ' VAL . 13.2 t -54.64 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -55.09 -46.68 75.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -52.08 -55.32 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.82 -40.85 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.34 -30.89 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -82.93 -36.48 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 21.0 mt -89.09 127.49 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.59 150.38 45.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 159.44 53.43 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.383 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.86 142.23 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -69.12 154.35 95.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -36.92 9.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -52.84 52.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 25.3 tp -45.24 -56.3 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -57.22 -46.1 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -55.98 -46.31 78.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 71.5 mt -54.8 -67.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -39.59 -57.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 38.8 t -48.49 -58.58 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 58.5 mt -47.97 -45.0 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 881' ' ' MET . 30.0 mt -57.09 -38.93 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.18 -14.27 55.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -84.82 23.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.83 49.51 7.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -124.84 -37.17 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 80.1 mmm -144.63 146.36 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 7.5 pt-20 -115.89 141.35 48.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -77.66 117.29 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 6.9 t0 -53.38 117.51 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -43.95 -36.12 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.465 ' HG3' ' ND2' ' A' ' 887' ' ' ASN . 11.5 pt-20 -58.64 -43.32 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.465 ' ND2' ' HG3' ' A' ' 886' ' ' GLU . 25.9 p30 -165.92 143.73 4.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -0.21 6.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.406 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.89 -22.26 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 884' ' ' ASP . 24.0 tt0 -103.81 136.33 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -126.22 136.6 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 46.7 m-80 -108.17 153.28 23.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 895' ' ' ALA . 38.0 t80 -83.5 134.01 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 895' ' ' ALA . 5.1 pt -127.74 -40.14 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.481 ' HB2' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 829' ' ' GLN . 8.0 tmm_? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.444 ' N ' ' HD2' ' A' ' 828' ' ' ARG . 9.8 pt20 -41.09 -32.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 15.3 m-85 -75.34 -49.12 20.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -52.03 -37.48 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.62 -65.79 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -43.4 -40.73 3.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.45 -57.58 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -47.25 -36.66 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 51.1 mt -72.53 -65.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.453 ' CG2' HD21 ' A' ' 875' ' ' LEU . 97.2 t -46.06 -27.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -80.77 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 854' ' ' GLU . 23.7 mt -58.3 -49.24 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.472 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.6 mmm -57.91 -37.86 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 23.9 ttpp -62.68 -60.37 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 10.4 mmm -49.81 -35.61 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -101.56 102.26 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -39.76 -32.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 38.7 m -151.99 131.2 12.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.3 tp -143.48 159.17 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 24.9 m -108.84 178.73 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -59.03 -57.29 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -44.9 -63.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 850' ' ' LEU . 0.7 OUTLIER -59.21 -41.41 88.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.42 ' CD2' HG12 ' A' ' 872' ' ' ILE . 10.0 tp -51.45 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 868' ' ' LEU . 23.4 m -52.71 -42.96 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 6.7 t -50.42 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . 0.464 ' CB ' HG23 ' A' ' 839' ' ' ILE . 64.5 mm-40 -54.58 -52.44 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 36.9 t -48.0 -56.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -51.36 -45.78 62.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -56.87 -34.29 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -74.28 -32.38 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 859' ' ' LEU . 4.4 mt -97.18 120.38 37.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -2.09 36.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -118.37 149.34 45.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.78 48.78 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.8 t -120.18 154.7 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -79.14 150.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -41.35 4.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.85 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.28 -61.05 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 852' ' ' VAL . 17.7 tp -39.31 -59.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -47.62 -54.71 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -51.64 -46.06 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -56.05 -47.24 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . 0.42 HG12 ' CD2' ' A' ' 851' ' ' LEU . 50.4 mt -54.91 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 874' ' ' SER . 7.2 mm-40 -44.91 -68.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 877' ' ' ASP . 2.5 t -38.46 -67.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 837' ' ' VAL . 78.3 mt -39.92 -51.9 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.64 -31.2 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 874' ' ' SER . 2.3 m-20 -86.68 -7.27 58.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 878' ' ' ARG . 8.5 mmm180 -84.03 10.13 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 17.7 t70 74.44 25.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -104.68 -34.89 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 58.3 mmm -139.99 160.97 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -134.8 145.68 48.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -78.7 127.75 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 886' ' ' GLU . 38.3 t0 -56.27 114.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -40.83 -27.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.4 mt-10 -68.94 -57.07 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.1 t-20 -144.96 140.23 16.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 54.1 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -84.28 -3.83 58.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -117.31 150.79 38.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -134.24 141.07 46.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -114.61 148.76 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.468 ' CZ ' ' HB1' ' A' ' 895' ' ' ALA . 66.8 t80 -83.28 130.82 35.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 895' ' ' ALA . 2.9 pt -124.55 -38.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 831' ' ' GLN . 46.2 mtt85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.796 0.332 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.5 pt20 -38.3 -32.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.448 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 44.6 m-85 -77.41 -45.61 25.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 828' ' ' ARG . 16.8 mm-40 -57.94 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.45 -55.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -52.37 -41.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -64.45 -59.27 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -44.96 -37.67 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 875' ' ' LEU . 56.8 mt -70.29 -70.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 875' ' ' LEU . 60.8 t -42.12 -35.74 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -70.67 -55.67 8.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.6 mt -53.82 -44.52 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 3.4 mmt -58.4 -48.63 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -49.63 -58.33 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 3.8 mmt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.1 mmm180 -108.67 92.8 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.6 mptp? -35.18 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 90.7 m -102.79 122.66 44.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.83 160.51 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.6 m -100.82 172.84 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -61.44 -58.18 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.28 -44.59 61.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 850' ' ' LEU . 3.4 mm? -62.16 -35.78 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.81 -67.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 5.2 m -44.55 -39.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 852' ' ' VAL . 29.9 t -59.98 -57.22 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.03 -52.15 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 36.4 t -47.32 -55.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 20.3 m-85 -53.36 -44.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.27 -33.21 69.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -78.86 -35.95 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.7 139.37 32.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -84.8 -17.91 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -117.49 147.24 40.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 141.5 45.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 94.3 t -119.83 134.15 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -63.53 155.99 73.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.06 24.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.52 -66.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.16 -48.0 83.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 23.8 tp -49.48 -56.45 9.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -51.36 -56.88 10.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -48.28 -43.26 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.81 -49.75 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 62.9 mt -54.64 -67.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -41.07 -60.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 877' ' ' ASP . 4.2 t -44.99 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 837' ' ' VAL . 38.9 mt -38.91 -48.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 891' ' ' TYR . 69.8 mt -56.04 -37.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 874' ' ' SER . 1.8 t70 -81.84 -9.86 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . 0.432 ' HB2' ' CD2' ' A' ' 880' ' ' TYR . 11.6 mmm180 -82.64 19.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 62.39 29.11 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . 0.432 ' CD2' ' HB2' ' A' ' 878' ' ' ARG . 22.4 m-85 -108.26 -38.69 5.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 96.9 mmm -135.48 146.23 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.78 139.51 51.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -76.07 117.48 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -51.77 130.0 27.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -52.13 -42.7 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 8.6 pt-20 -52.89 -43.14 65.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 9.4 m120 -167.16 142.93 3.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.96 17.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -75.87 -19.32 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -109.82 131.69 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' A' ' 876' ' ' ILE . 11.5 m-85 -118.11 144.08 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -115.63 158.35 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 64.9 t80 -86.22 130.79 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.5 pt -124.26 -31.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.502 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.8 pt20 -41.86 -30.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.448 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.3 m-85 -76.56 -48.76 18.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -55.89 -37.64 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.0 mp -73.95 -56.07 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.88 -34.35 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.44 -54.08 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -39.99 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.82 -56.58 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.35 -31.58 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -72.83 -53.79 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 855' ' ' VAL . 26.9 mt -58.98 -53.69 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 4.4 mmm -52.21 -59.04 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 64.8 tttt -42.89 -62.21 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.0 mmt -50.95 -38.27 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.8 mmm180 -99.58 94.96 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 30.5 mmtp -34.33 -44.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 31.7 m -139.68 131.2 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.0 tp -146.38 157.93 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 77.7 p -105.13 -178.97 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . 0.462 ' CD2' HG13 ' A' ' 852' ' ' VAL . 44.7 t60 -64.12 -63.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.94 -56.57 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.55 -44.01 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 872' ' ' ILE . 14.4 tp -55.21 -71.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 848' ' ' HIS . 12.2 m -45.14 -43.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.416 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.6 t -54.93 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . 0.409 ' CB ' HG23 ' A' ' 839' ' ' ILE . 35.8 mm-40 -48.93 -53.87 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . 0.42 ' N ' HD11 ' A' ' 839' ' ' ILE . 49.4 t -47.49 -53.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -51.85 -41.26 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -66.95 -30.15 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -76.66 -37.82 55.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.1 131.4 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -70.92 -20.26 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -112.19 146.44 34.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.52 48.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.23 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.5 t -117.93 134.58 61.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -61.78 153.53 71.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.14 21.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.25 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.72 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.67 -53.56 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 17.9 tp -52.33 -56.52 14.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.35 -56.81 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -52.06 -53.94 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -47.99 -50.9 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' A' ' 851' ' ' LEU . 59.9 mt -53.32 -68.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.13 -52.91 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.421 ' C ' ' HD3' ' A' ' 878' ' ' ARG . 57.9 m -48.19 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 42.0 mt -41.12 -44.83 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 33.4 mt -58.36 -38.25 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 874' ' ' SER . 12.5 t0 -82.42 -16.71 48.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 874' ' ' SER . 1.9 mpt_? -81.53 12.7 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 68.51 42.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -119.33 -29.91 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 91.1 mmm -146.43 150.94 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.26 140.53 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 883' ' ' ARG . 24.9 mtm105 -77.25 146.99 36.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -82.84 123.97 29.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -46.17 -31.21 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.6 pt-20 -63.22 -45.11 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.463 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 16.6 m120 -161.97 143.28 8.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.445 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.3 Cg_endo -69.8 -14.49 36.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.88 -20.77 61.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -101.94 143.1 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.445 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 13.8 m-85 -134.89 152.65 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -120.19 165.08 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 841' ' ' LYS . 53.6 t80 -92.26 121.23 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 895' ' ' ALA . 8.3 pt -115.92 -41.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 894' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.741 0.305 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 10.0 pt20 -44.23 -32.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.477 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 25.1 m-85 -77.78 -39.41 44.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -58.41 -49.67 76.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.3 mp -68.76 -53.08 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -55.48 -40.35 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.51 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -56.62 -39.21 73.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.91 -67.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 92.3 t -40.42 -45.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -61.41 -47.14 87.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 18.9 mt -63.95 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 3.5 mmt -55.06 -49.77 70.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -49.88 -63.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.7 mtt -55.44 -40.56 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 63.5 mmt-85 -103.81 85.61 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -34.25 -66.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.2 m -109.05 126.74 53.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -146.06 153.78 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 72.6 m -101.21 147.59 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . 0.509 ' CD2' HG11 ' A' ' 852' ' ' VAL . 5.5 t60 -38.46 -45.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -45.15 -65.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.5 -45.84 91.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 24.4 tp -40.31 -62.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.509 HG11 ' CD2' ' A' ' 848' ' ' HIS . 28.1 m -60.66 -43.13 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.9 m -50.21 -55.24 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -54.76 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 61.0 t -42.43 -53.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -57.79 -41.64 82.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -62.6 -30.52 71.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -82.09 -39.31 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.41 130.16 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -71.13 -27.57 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -105.5 147.03 33.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.03 59.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.632 2.221 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.6 131.87 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.57 158.36 31.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -44.36 -62.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . 0.449 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 6.4 m-20 -54.41 -59.5 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 852' ' ' VAL . 15.5 tp -41.55 -59.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -46.08 -51.44 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . 0.449 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 51.6 mtmt -55.74 -44.76 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 5.7 mmp_? -59.84 -52.13 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.53 -64.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.188 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -47.34 -58.04 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 8.7 t -47.79 -58.21 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 47.3 mt -47.34 -51.56 19.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 65.8 mt -51.81 -40.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.57 -14.09 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . 0.465 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 51.0 mtt180 -84.64 29.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.2 t70 54.27 47.58 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 41.0 m-85 -124.62 -39.26 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 94.7 mmm -138.91 154.25 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.1 pt-20 -126.86 137.14 53.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -75.97 115.82 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.89 123.42 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -45.54 -47.86 14.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 887' ' ' ASN . 6.6 pt-20 -45.87 -37.56 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 886' ' ' GLU . 9.1 m120 -173.43 142.06 0.95 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.725 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.6 3.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -82.32 -35.47 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.93 134.31 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -118.66 150.55 39.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 14.4 m-80 -120.57 153.65 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -84.67 115.64 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 895' ' ' ALA . 11.0 pt -109.25 -41.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 894' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 831' ' ' GLN . 44.2 mmm-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.796 0.331 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.6 pt20 -39.74 -38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.453 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 10.1 m-85 -67.61 -43.2 81.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 828' ' ' ARG . 45.2 mm-40 -57.08 -48.58 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.0 mp -70.82 -55.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -55.01 -35.03 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.91 -53.68 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.85 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.28 -57.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.446 ' CG2' HD21 ' A' ' 875' ' ' LEU . 96.8 t -53.9 -48.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -53.31 -61.59 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 31.6 mt -52.69 -47.92 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 14.7 mtt -56.1 -61.98 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 6.2 ttpm? -39.32 -65.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 28.0 mmt -48.12 -38.41 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 49.4 mmt-85 -100.97 92.95 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.6 mmtm -34.33 -43.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' THR . . . . . 0.428 HG22 ' NE2' ' A' ' 890' ' ' GLN . 97.2 m -139.86 125.04 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 11.6 tp -137.91 155.27 49.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 37.1 p -93.83 171.56 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . 0.453 ' CD2' HG12 ' A' ' 852' ' ' VAL . 15.7 t60 -64.63 -46.7 81.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -56.25 -55.44 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.16 -32.84 73.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.08 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.453 HG12 ' CD2' ' A' ' 848' ' ' HIS . 17.2 m -48.18 -39.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 8.1 t -60.3 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -47.07 -49.3 21.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.24 -56.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 28.7 m-85 -52.19 -41.7 62.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -62.16 -34.51 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -75.85 -37.58 58.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.95 139.92 29.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.39 -25.29 54.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -112.81 147.81 37.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.61 62.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.3 t -124.25 126.22 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -52.68 158.93 1.91 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.24 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -50.48 -59.45 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.83 -64.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.3 tp -38.2 -51.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -55.17 -47.26 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -54.64 -55.99 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -48.34 -44.72 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.69 -58.48 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -52.83 -55.96 19.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 16.9 m -46.01 -53.49 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . 0.446 HD21 ' CG2' ' A' ' 837' ' ' VAL . 42.6 mt -52.34 -52.9 50.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 73.1 mt -51.4 -39.22 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -75.4 -20.98 58.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -83.14 12.18 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 45.6 t0 69.24 34.17 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.27 -32.91 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 75.0 mmm -147.42 160.11 42.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 10.4 pt-20 -129.84 148.85 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . 0.448 ' NE ' ' HB3' ' A' ' 888' ' ' PRO . 5.3 mtp-105 -76.48 111.23 11.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . 0.49 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 62.3 t0 -51.69 120.2 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 884' ' ' ASP . 6.7 mt-10 -70.05 -44.06 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 884' ' ' ASP . 54.8 m-20 -168.99 152.36 5.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.695 0.759 . . . . 0.0 110.828 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.541 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.1 Cg_endo -69.77 -21.43 33.45 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.8 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . 0.49 ' NE2' ' OD2' ' A' ' 884' ' ' ASP . 34.0 tt0 -92.4 129.29 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.541 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 21.6 m-85 -116.22 138.04 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 4.0 m-80 -105.13 148.54 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 895' ' ' ALA . 10.4 t80 -80.28 128.49 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.59 -26.76 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.193 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 831' ' ' GLN . 22.0 ttm-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.6 pt20 -39.51 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.2 m-85 -74.26 -45.26 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 828' ' ' ARG . 56.5 mm-40 -55.29 -43.65 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.14 -57.51 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -50.45 -51.55 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.14 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.22 97.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . 0.495 ' CG2' ' SD ' ' A' ' 840' ' ' MET . 90.7 mt -61.33 -59.42 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.452 ' CG2' HD22 ' A' ' 875' ' ' LEU . 83.8 t -47.83 -50.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -56.2 -53.84 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . 0.405 HD11 ' CB ' ' A' ' 854' ' ' GLU . 18.8 mt -55.98 -60.71 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 836' ' ' ILE . 7.8 mtt -53.8 -60.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 840' ' ' MET . 46.9 tttt -35.41 -52.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.15 -40.32 90.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.7 mmm180 -99.06 95.77 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.0 OUTLIER -34.33 -55.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.5 m -124.52 134.44 53.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.1 tp -148.59 149.36 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 52.0 p -91.64 172.83 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.14 -60.14 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -44.53 -54.25 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.37 -42.48 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.8 -62.41 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 853' ' ' SER . 34.1 m -52.51 -41.28 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.464 ' N ' HG21 ' A' ' 852' ' ' VAL . 45.3 t -52.03 -60.73 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . 0.405 ' CB ' HD11 ' A' ' 839' ' ' ILE . 61.1 mm-40 -51.74 -55.21 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.41 -55.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -56.51 -44.93 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -52.9 -34.26 54.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -82.59 -39.82 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 15.7 mt -88.05 115.74 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -85.61 26.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . 0.561 ' CE2' HG21 ' A' ' 863' ' ' VAL . 13.4 p90 -136.4 152.91 75.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.8 28.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.561 HG21 ' CE2' ' A' ' 861' ' ' PHE . 95.4 t -130.39 118.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -49.84 154.81 1.68 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.05 8.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.11 -52.67 62.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.5 -58.58 7.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . 0.437 HD22 ' CG1' ' A' ' 852' ' ' VAL . 20.1 tp -42.99 -57.32 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -54.04 -54.03 44.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -47.77 -53.48 15.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 829' ' ' GLN . 31.2 mmm180 -53.53 -49.31 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.01 -52.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -53.64 -60.44 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 61.6 m -41.24 -54.46 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 837' ' ' VAL . 31.3 mt -51.41 -53.39 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.542 HD12 ' CE1' ' A' ' 891' ' ' TYR . 78.5 mt -48.82 -46.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.34 -12.64 60.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 34.1 mtt180 -86.14 31.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.66 48.21 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.9 m-85 -125.37 -37.74 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 78.2 mmm -141.8 161.38 38.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.6 pt-20 -130.94 137.71 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -76.01 119.75 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -53.58 123.93 13.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -45.99 -35.57 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.35 -49.51 71.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.419 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.2 t-20 -156.54 139.83 11.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.5 Cg_endo -69.75 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -72.98 -39.95 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.19 116.09 28.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.542 ' CE1' HD12 ' A' ' 876' ' ' ILE . 13.3 m-85 -100.19 149.32 23.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 54.4 m-20 -117.72 148.76 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 22.6 t80 -81.48 127.41 32.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 5.2 pt -120.43 -34.49 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 831' ' ' GLN . 68.7 mtm180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -39.49 -38.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -72.46 -38.42 68.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 828' ' ' ARG . 6.8 mm-40 -60.93 -45.68 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . 0.408 ' CD1' ' O ' ' A' ' 828' ' ' ARG . 4.2 mp -69.06 -55.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.17 -40.4 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -61.35 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.13 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 875' ' ' LEU . 54.4 mt -60.9 -66.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.404 ' CG2' HD23 ' A' ' 875' ' ' LEU . 99.4 t -45.59 -36.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.86 -56.43 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 39.7 mt -54.95 -55.23 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.456 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.2 mmm -51.2 -48.25 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -50.99 -52.75 39.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.3 mmm180 -91.81 94.68 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.0 mmmp? -34.78 -36.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 843' ' ' ARG . 89.2 m -146.61 124.14 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.0 tp -139.99 152.51 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.2 t -102.01 -178.48 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -63.13 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -41.43 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 850' ' ' LEU . 4.0 mm? -60.63 -38.96 86.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.23 -68.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 32.8 m -44.04 -42.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.1 t -54.92 -60.19 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -51.77 -53.83 35.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -47.37 -52.96 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 27.7 m-85 -53.85 -41.83 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -64.04 -29.45 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -79.64 -41.58 26.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 15.1 mt -86.3 132.13 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -74.0 -15.54 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -119.87 146.31 41.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.61 54.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 79.4 t -111.54 141.73 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -64.72 156.11 79.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.33 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.26 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -53.95 -66.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . 0.405 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 34.4 m-20 -52.11 -55.73 18.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.2 tp -44.81 -51.13 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -54.53 -56.3 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . 0.405 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 33.7 mtmt -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -54.35 -46.37 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.3 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.93 -61.4 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 877' ' ' ASP . 47.4 p -42.56 -67.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 836' ' ' ILE . 59.9 mt -39.36 -51.31 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.95 -36.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 874' ' ' SER . 5.1 t70 -84.8 -9.23 58.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -80.26 12.92 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 879' ' ' ASP . 0.4 OUTLIER 68.58 35.08 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . 0.455 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 23.2 m-85 -116.99 -33.95 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 90.7 mmm -135.84 166.55 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.2 pt-20 -142.63 139.94 31.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -76.06 121.77 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 886' ' ' GLU . 45.5 t0 -49.07 112.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 884' ' ' ASP . 17.9 mmtm -37.55 -28.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.7 mt-10 -69.51 -60.94 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -143.48 140.9 18.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.74 7.35 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.16 -23.48 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -107.5 143.12 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -123.65 145.8 48.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 25.2 m-80 -117.22 160.61 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 55.1 t80 -90.52 132.85 35.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . 0.455 ' CG1' ' C ' ' A' ' 880' ' ' TYR . 1.7 pt -123.73 -42.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 831' ' ' GLN . 11.1 mmt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.793 0.33 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 2.0 pt20 -39.58 -30.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -78.02 -39.54 41.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 828' ' ' ARG . 26.8 mm-40 -61.13 -46.31 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.77 -54.97 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -57.31 -40.51 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -59.85 -57.95 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -51.03 -37.13 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . 0.414 ' CG2' ' SD ' ' A' ' 840' ' ' MET . 71.9 mt -67.21 -63.68 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.79 -46.02 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -61.08 -64.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 24.9 mt -45.99 -56.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.414 ' SD ' ' CG2' ' A' ' 836' ' ' ILE . 22.3 mtt -51.96 -57.78 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 893' ' ' TYR . 27.6 tptt -37.41 -64.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 16.5 mmt -54.96 -43.8 73.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.9 mmp_? -97.38 94.47 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 844' ' ' LYS . 0.0 OUTLIER -35.02 -53.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 91.2 m -125.99 135.65 52.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.3 tp -147.25 149.83 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 848' ' ' HIS . 71.3 p -103.59 150.58 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . 0.511 ' CD2' HG11 ' A' ' 852' ' ' VAL . 25.7 t60 -35.42 -53.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -45.49 -57.65 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 57.0 tp -46.55 -72.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.559 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 16.1 m -45.11 -44.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 852' ' ' VAL . 5.6 t -55.99 -65.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -49.4 -47.36 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 52.9 t -49.27 -53.37 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 35.1 m-85 -55.45 -42.87 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.86 -32.01 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -83.44 -36.89 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.29 128.62 35.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -28.21 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -113.06 151.12 43.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 69.8 t -124.89 134.86 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.7 158.89 28.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.7 10.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.74 -60.45 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.39 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 60.8 tp -43.56 -56.34 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -60.97 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.41 -42.84 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -63.23 -50.08 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.04 -62.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -46.71 -59.11 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 m -41.75 -59.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 34.7 mt -45.96 -50.01 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 891' ' ' TYR . 57.9 mt -53.56 -39.56 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.7 -17.29 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -80.26 11.07 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 69.34 46.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -120.13 -34.31 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 52.6 mmm -142.02 150.25 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -117.41 137.0 52.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -76.08 115.38 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.42 126.4 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 886' ' ' GLU . 0.0 OUTLIER -47.99 -30.23 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.468 ' N ' ' HG2' ' A' ' 885' ' ' LYS . 6.5 pt-20 -63.74 -42.95 97.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.464 ' ND2' ' HG3' ' A' ' 886' ' ' GLU . 17.8 p30 -169.02 143.46 2.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -4.36 13.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -75.65 -27.35 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -99.47 133.63 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.56 ' CE1' HD12 ' A' ' 876' ' ' ILE . 22.0 m-85 -119.66 141.33 49.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -115.12 149.8 37.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 841' ' ' LYS . 6.9 t80 -80.07 126.48 31.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 3.7 pt -120.51 -33.19 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.417 ' O ' ' CE2' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 831' ' ' GLN . 21.4 ttp180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -39.57 -33.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.464 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.5 m-85 -72.31 -39.46 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 828' ' ' ARG . 31.7 mt-30 -64.31 -32.01 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . 0.459 ' CG2' ' HG3' ' A' ' 871' ' ' ARG . 2.2 mp -73.59 -60.1 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 834' ' ' ALA . 0.1 OUTLIER -53.35 -45.48 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . 0.479 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.92 -55.66 32.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.48 -43.61 65.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.02 -58.94 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 78.8 t -48.78 -53.56 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -55.39 -57.87 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.7 mt -50.24 -59.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.546 ' HE1' ' CD2' ' A' ' 891' ' ' TYR . 2.5 mmt -53.05 -43.22 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 3.1 ttmp? -53.49 -59.7 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 84.4 mmm -55.51 -41.88 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.2 mmm180 -95.24 97.93 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 31.4 mmtm -34.49 -51.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 98.8 m -133.14 133.16 42.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 850' ' ' LEU . 9.5 tp -141.23 146.09 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 848' ' ' HIS . 70.4 m -94.08 147.67 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 847' ' ' SER . 26.7 t60 -34.88 -55.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.17 -51.48 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.449 ' CB ' ' HG ' ' A' ' 846' ' ' LEU . 3.7 mm? -61.43 -34.5 75.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.51 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.408 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 35.5 m -47.51 -38.19 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.5 t -61.94 -57.2 12.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.11 -56.51 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.92 -57.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 18.1 m-85 -50.49 -38.96 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -62.83 -35.98 81.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -79.71 -30.08 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.94 118.55 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 15.25 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -133.28 150.19 74.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 140.46 42.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 75.7 t -120.81 122.13 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -48.02 153.13 1.24 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.549 0.69 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.81 18.01 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.677 2.251 . . . . 0.0 112.399 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.84 70.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.35 -47.88 66.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.95 -62.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -52.34 -50.62 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -52.31 -48.28 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . 0.459 ' HG3' ' CG2' ' A' ' 832' ' ' ILE . 10.2 mmp_? -56.79 -42.15 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.02 -64.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -48.8 -60.48 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 877' ' ' ASP . 16.3 p -42.03 -66.74 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 42.8 mt -38.99 -51.57 1.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 881' ' ' MET . 78.8 mt -53.39 -37.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 874' ' ' SER . 38.6 t70 -77.28 -17.5 58.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . 0.505 ' HB3' ' CE2' ' A' ' 880' ' ' TYR . 1.0 OUTLIER -84.56 26.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 39.0 t70 56.29 31.95 19.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 878' ' ' ARG . 17.7 m-85 -100.97 -37.11 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.49 ' O ' ' CG2' ' A' ' 876' ' ' ILE . 73.6 mmm -146.76 142.74 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.39 139.86 49.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -77.28 137.08 38.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -81.17 147.69 29.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -72.1 -40.56 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.4 pt-20 -48.55 -38.4 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 8.6 m120 -162.28 136.66 5.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -4.26 13.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.57 25.29 8.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -130.83 123.74 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.546 ' CD2' ' HE1' ' A' ' 840' ' ' MET . 22.6 m-85 -113.29 131.02 56.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -104.18 151.19 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 61.0 t80 -84.18 130.51 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.41 -36.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.436 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 831' ' ' GLN . 40.2 ttt180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.2 pt20 -39.26 -35.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 10.0 m-85 -72.13 -42.29 66.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 828' ' ' ARG . 44.6 mt-30 -56.66 -45.24 81.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . 0.425 ' CG2' HD13 ' A' ' 836' ' ' ILE . 3.3 mp -70.45 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -49.8 -48.59 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.27 -52.54 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . 0.436 ' O ' ' CD1' ' A' ' 839' ' ' ILE . . . -54.46 -44.14 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 832' ' ' ILE . 73.3 mt -62.5 -56.02 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.08 -48.99 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -57.43 -46.76 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . 0.436 ' CD1' ' O ' ' A' ' 835' ' ' ALA . 19.4 mt -63.39 -56.81 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 3.3 mmm -54.31 -44.03 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' A' ' 893' ' ' TYR . 27.2 ttmt -54.34 -52.59 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.83 -48.87 79.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.7 mmm180 -90.88 99.13 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 17.4 mmtp -34.49 -44.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' THR . . . . . 0.423 HG22 ' NE2' ' A' ' 890' ' ' GLN . 58.6 m -140.65 128.11 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.7 tp -142.21 152.61 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 35.6 p -94.79 178.7 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -66.32 -49.33 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.27 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.44 -35.75 81.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 16.4 tp -60.46 -70.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.482 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 28.0 m -47.9 -38.44 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 15.8 t -55.97 -58.8 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -54.95 -47.44 74.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . 0.413 HG23 ' CD1' ' A' ' 839' ' ' ILE . 83.7 t -50.4 -57.7 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 32.9 m-85 -50.65 -45.54 57.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -57.12 -34.28 68.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -79.76 -35.85 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 21.5 mt -89.25 126.44 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -63.69 -25.15 68.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.45 151.75 47.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.25 19.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.76 140.13 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -67.24 160.59 70.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.689 . . . . 0.0 110.944 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -52.28 -58.94 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 868' ' ' LEU . 24.2 m-20 -60.05 -61.55 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 867' ' ' ASP . 31.5 tp -35.27 -58.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -49.21 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -55.45 -42.88 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -61.49 -52.08 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.26 -59.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.31 -49.73 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 15.2 m -50.22 -57.35 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 37.9 mt -52.41 -47.0 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 891' ' ' TYR . 95.9 mt -53.67 -39.05 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.78 -14.76 50.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -84.85 27.36 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.32 50.62 14.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -128.98 -37.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 95.5 mmm -138.18 156.31 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.9 pt-20 -129.45 142.5 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -75.93 113.54 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -47.37 118.57 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.45 -35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.36 -46.71 87.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -159.21 143.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.82 10.8 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -78.55 -38.27 40.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . 0.423 ' NE2' HG22 ' A' ' 845' ' ' THR . 15.9 tt0 -90.18 134.02 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.533 ' CE1' HD13 ' A' ' 876' ' ' ILE . 27.6 m-85 -117.08 143.16 46.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 32.9 m-80 -113.86 150.71 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 841' ' ' LYS . 53.6 t80 -76.33 124.21 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 22.3 pt -121.08 -39.82 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.457 ' O ' ' CD1' ' A' ' 832' ' ' ILE . 49.6 mtm-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.4 pt20 -39.68 -34.17 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -70.27 -44.58 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 828' ' ' ARG . 64.6 mm-40 -59.34 -33.78 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 828' ' ' ARG . 3.8 mp -70.56 -58.21 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 834' ' ' ALA . 0.1 OUTLIER -58.19 -44.81 88.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.0 -49.96 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.2 -44.73 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.7 -60.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.38 -39.18 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -62.95 -45.33 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 855' ' ' VAL . 19.3 mt -65.77 -48.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 3.4 mmt -58.86 -48.33 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -51.89 -57.4 9.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.54 -36.27 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 844' ' ' LYS . 24.6 mmt180 -108.59 90.69 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 843' ' ' ARG . 7.4 mptt -34.68 -58.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 16.6 m -118.49 125.18 49.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 5.5 tp -145.58 151.21 37.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 90.3 p -93.79 165.18 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . 0.472 ' CD2' HG11 ' A' ' 852' ' ' VAL . 4.0 t60 -54.08 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -44.69 -53.78 6.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.97 -36.66 82.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.78 -71.93 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.472 HG11 ' CD2' ' A' ' 848' ' ' HIS . 33.0 m -40.66 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.3 t -54.82 -57.24 12.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -52.91 -45.78 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 839' ' ' ILE . 53.6 t -51.31 -53.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -54.41 -43.79 71.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -60.8 -30.16 69.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -81.91 -38.88 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.6 mt -91.2 132.75 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -74.26 -26.51 60.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -106.06 149.12 37.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 153.65 68.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 864' ' ' LYS . 70.6 t -113.59 155.4 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . 0.408 ' N ' ' CG1' ' A' ' 863' ' ' VAL . 0.4 OUTLIER -75.8 154.58 85.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.754 2.303 . . . . 0.0 112.33 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.36 -62.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -51.89 -43.37 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . 0.463 HD21 ' CG1' ' A' ' 852' ' ' VAL . 14.3 tp -52.37 -47.19 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.71 -63.14 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -48.81 -43.08 37.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -55.08 -59.45 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.49 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -44.84 -62.42 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 64.9 m -41.61 -57.5 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.15 -44.33 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 891' ' ' TYR . 86.6 mt -57.72 -35.9 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -84.52 -13.08 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 11.8 mtp180 -84.55 34.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.22 46.98 25.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.5 m-85 -124.73 -36.22 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 89.4 mmm -142.04 165.01 28.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.8 pt-20 -134.44 138.61 44.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -75.95 111.48 11.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 885' ' ' LYS . 33.8 t0 -43.17 117.34 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 884' ' ' ASP . 56.4 mttt -35.86 -42.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.48 -60.24 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -146.5 144.42 20.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.586 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.2 Cg_endo -69.69 -9.96 27.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -67.83 -37.88 82.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -95.43 113.94 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.586 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 24.1 m-85 -101.05 150.51 22.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.5 m-80 -121.48 153.15 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 895' ' ' ALA . 64.5 t80 -79.51 136.65 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.5 pt -128.92 -39.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.401 ' O ' ' CE2' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.723 0.297 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.7 pt20 -39.19 -45.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.438 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 11.1 m-85 -61.37 -44.11 97.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -54.54 -44.82 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.0 mp -62.07 -62.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.92 -58.96 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -40.32 -56.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.44 72.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.06 -69.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 97.4 t -42.32 -38.73 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -62.13 -52.59 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 855' ' ' VAL . 17.8 mt -58.18 -55.84 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 841' ' ' LYS . 5.6 mtt -56.15 -64.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 840' ' ' MET . 17.5 ttpp -34.58 -52.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.63 -43.76 97.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 840' ' ' MET . 9.8 mmm180 -96.69 97.85 9.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 843' ' ' ARG . 48.8 mmtt -35.05 -43.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.4 m -138.49 130.67 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.9 tp -146.54 154.33 41.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 96.1 p -94.48 169.98 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . 0.404 ' CD2' HG12 ' A' ' 852' ' ' VAL . 40.6 t60 -61.91 -50.77 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -49.37 -56.67 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.4 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.404 HG12 ' CD2' ' A' ' 848' ' ' HIS . 32.8 m -51.47 -44.16 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 4.9 t -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . 0.404 ' CB ' HD11 ' A' ' 839' ' ' ILE . 14.4 mm-40 -47.41 -52.64 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 839' ' ' ILE . 69.7 t -49.71 -55.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -48.44 -46.2 37.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.48 -32.26 72.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -76.44 -39.88 52.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.86 131.51 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -110.68 147.45 36.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.43 62.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 93.8 t -118.12 130.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -58.89 156.52 24.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -38.22 7.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.35 -59.48 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -61.37 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 21.8 tp -41.53 -55.34 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.63 -47.06 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -58.91 -53.28 60.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.92 -62.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -40.28 -56.26 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 27.0 t -49.49 -51.74 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.0 mt -53.45 -46.33 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.85 -38.48 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.76 -14.07 52.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -83.94 16.08 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 22.4 t0 64.46 51.17 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -127.43 -30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.44 ' HG3' ' CE ' ' A' ' 840' ' ' MET . 88.0 mmm -147.36 147.93 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.7 pt-20 -119.6 137.06 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -75.85 122.27 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -54.39 117.14 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 886' ' ' GLU . 2.1 pttp -42.75 -26.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 885' ' ' LYS . 5.6 mt-10 -69.49 -52.85 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -156.13 144.19 14.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -1.31 8.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -78.99 -27.44 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -103.27 132.26 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.6 141.11 49.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 12.3 m-80 -110.76 153.88 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 895' ' ' ALA . 31.3 t80 -84.68 127.15 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.0 pt -120.94 -34.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 831' ' ' GLN . 37.3 mtt85 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.767 0.317 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.3 pt20 -38.04 -30.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.3 m-85 -78.18 -42.47 31.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 828' ' ' ARG . 21.4 mm100 -55.65 -43.73 76.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.13 -55.58 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -51.69 -41.79 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.04 -51.37 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.27 68.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.28 -69.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 59.7 t -37.64 -45.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -60.01 -48.12 83.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 21.7 mt -62.72 -49.61 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 2.9 mmt -47.78 -53.0 16.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 841' ' ' LYS . 0.6 OUTLIER -48.85 -51.65 28.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 52.2 mtt -62.19 -47.68 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.1 mmm180 -101.34 85.67 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.3 mptm? -34.3 -64.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 36.4 m -115.05 119.42 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.0 tp -137.57 154.08 49.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.5 m -92.19 157.65 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -47.67 -60.51 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -44.6 -53.09 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.09 -34.07 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.38 -69.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . . . . . . . . . 27.2 m -46.57 -39.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 25.0 t -57.76 -50.42 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -57.27 -57.93 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -42.51 -55.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -53.81 -41.97 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.77 -37.08 70.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -79.15 -36.7 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.0 mt -92.66 117.91 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -84.86 25.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . 0.566 ' CE2' HG23 ' A' ' 863' ' ' VAL . 11.7 p90 -136.57 151.72 73.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 134.01 27.05 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . 0.566 HG23 ' CE2' ' A' ' 861' ' ' PHE . 94.6 t -126.29 112.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -43.87 154.56 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -34.68 14.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.64 92.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.37 -50.7 62.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 28.1 tp -55.92 -53.91 51.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -53.17 -53.61 48.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -55.7 -47.95 75.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 14.8 mmp_? -53.85 -49.06 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.13 -57.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.42 -58.85 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 874' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 877' ' ' ASP . 7.1 m -43.53 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 85.5 mt -38.97 -51.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.441 HD12 ' CE1' ' A' ' 891' ' ' TYR . 81.6 mt -51.92 -41.37 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 874' ' ' SER . 15.0 t0 -75.64 -15.56 60.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 33.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 49.3 35.09 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -110.68 -38.82 5.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 87.8 mmm -138.82 157.61 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -132.71 144.12 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -77.02 112.6 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -44.62 132.08 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -53.67 -38.17 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.51 -53.62 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . 0.428 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.0 t-20 -148.79 139.84 13.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.0 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -81.72 -19.79 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 891' ' ' TYR . 1.7 tp-100 -97.27 144.27 27.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.441 ' CE1' HD12 ' A' ' 876' ' ' ILE . 29.4 m-85 -123.37 136.7 54.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -112.72 153.52 27.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -84.26 115.51 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 10.1 pt -108.32 -12.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' ARG . . . . . 0.537 ' NH1' ' CD2' ' A' ' 861' ' ' PHE . 19.3 mmt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.744 0.307 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -38.84 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -77.23 -42.2 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 11.2 mm100 -56.95 -39.67 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.9 mp -75.85 -58.96 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -53.59 -31.98 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -72.25 -55.02 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.53 -44.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.85 -61.99 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.23 -38.88 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -66.47 -37.32 84.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 29.9 mt -75.43 -60.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.45 ' CE ' ' HG3' ' A' ' 881' ' ' MET . 7.8 mtt -48.26 -54.55 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -40.01 -60.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.3 mtt -58.05 -41.64 83.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.2 mmt-85 -98.78 95.98 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 893' ' ' TYR . 7.8 mptt -34.57 -55.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' THR . . . . . 0.444 HG23 ' NE2' ' A' ' 890' ' ' GLN . 87.1 m -123.67 132.09 53.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -144.84 148.43 33.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 3.9 m -95.56 160.34 14.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -49.0 -48.38 43.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -55.16 -68.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 850' ' ' LEU . 4.5 mm? -44.49 -31.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 49.1 tp -72.11 -65.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' VAL . . . . . 0.57 HG23 ' CE2' ' A' ' 856' ' ' TYR . 0.4 OUTLIER -37.91 -37.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.456 ' N ' HG12 ' A' ' 852' ' ' VAL . 47.7 t -70.65 -60.71 2.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -47.96 -46.99 32.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 23.5 t -57.76 -64.16 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 856' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 852' ' ' VAL . 9.3 m-85 -42.84 -37.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -66.89 -40.5 87.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -73.15 -29.4 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.545 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.1 mt -101.78 120.96 41.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -84.48 23.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 861' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 859' ' ' LEU . 16.1 p90 -141.32 148.47 51.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.748 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.32 42.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 65.5 t -128.03 130.01 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -60.85 154.18 60.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -34.31 14.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.16 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -63.79 -53.85 44.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.9 tp -52.2 -61.51 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -48.34 -50.62 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -54.55 -44.8 73.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -61.04 -46.5 90.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.33 -63.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -47.24 -55.54 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 m -49.38 -54.37 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 47.1 mt -51.08 -50.16 59.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 876' ' ' ILE . . . . . 0.445 HD13 ' CE1' ' A' ' 891' ' ' TYR . 84.1 mt -50.88 -43.17 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.84 -15.24 59.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -81.98 16.04 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 64.68 51.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.15 -36.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 881' ' ' MET . . . . . 0.45 ' HG3' ' CE ' ' A' ' 840' ' ' MET . 80.4 mmm -142.22 145.83 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 882' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 6.7 pt-20 -114.53 142.2 46.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -77.63 116.4 18.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -50.74 119.9 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -41.78 -32.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.72 -46.94 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -162.29 144.01 8.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.672 0.748 . . . . 0.0 110.821 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 888' ' ' PRO . . . . . 0.563 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.3 Cg_endo -69.75 -12.54 33.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 890' ' ' GLN . . . . . 0.444 ' NE2' HG23 ' A' ' 845' ' ' THR . 8.2 tt0 -100.73 117.72 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 891' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 11.0 m-85 -105.23 140.39 38.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 892' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 67.9 m-20 -108.79 149.52 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 893' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 844' ' ' LYS . 38.9 t80 -78.14 125.29 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.88 -29.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 24.8 p -132.79 162.2 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.8 t -47.26 -47.99 24.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.16 123.13 5.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 20.2 m 39.25 43.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 1.7 t -107.91 155.45 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -89.42 -57.71 1.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.8 tp -117.56 140.75 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -123.5 98.76 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -172.4 116.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -133.1 152.88 51.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -172.34 125.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 7.3 p -139.18 152.41 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.71 126.83 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -129.7 139.61 51.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -124.08 86.23 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -149.39 128.15 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -42.44 -43.41 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.4 m -42.67 164.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 11.8 m -122.07 129.11 52.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 23.4 p -82.75 -177.0 6.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -101.9 -30.17 11.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -67.61 -27.73 67.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 14.0 p -67.76 -8.78 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' A' ' 825' ' ' PHE . 3.3 t80 -79.78 -40.1 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -80.88 -41.34 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.49 -38.31 74.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.424 ' O ' ' CD1' ' A' ' 832' ' ' ILE . 16.0 ttm180 -64.91 -68.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -40.84 -39.38 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -69.28 -47.11 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -52.3 -41.16 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 828' ' ' ARG . 4.1 mp -73.42 -71.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -41.27 -37.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.38 -49.47 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . 0.464 ' O ' ' CD1' ' A' ' 839' ' ' ILE . . . -60.15 -33.87 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 45.5 mt -69.99 -54.48 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 75.2 t -55.95 -41.22 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.078 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.02 -45.78 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 835' ' ' ALA . 24.2 mt -66.6 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.418 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.4 mmm -48.02 -52.25 20.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.529 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 32.2 ttpt -48.45 -61.44 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 64.6 mmm -51.98 -36.65 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.1 mmt180 -101.05 93.63 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.7 mmmp? -34.35 -45.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' THR . . . . . 0.42 HG21 ' CD ' ' A' ' 890' ' ' GLN . 30.5 m -140.98 117.68 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -130.41 153.01 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 8.0 m -95.7 177.46 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . 0.532 ' CD2' HG13 ' A' ' 852' ' ' VAL . 26.0 t60 -61.73 -55.02 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -53.75 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.75 -33.84 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.63 -69.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.532 HG13 ' CD2' ' A' ' 848' ' ' HIS . 28.3 m -44.27 -37.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.412 ' N ' HG23 ' A' ' 852' ' ' VAL . 39.4 t -65.38 -55.69 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.21 -54.0 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 39.8 t -47.59 -54.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 13.6 m-85 -51.64 -44.66 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.79 -32.97 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -80.16 -24.11 40.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.414 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 8.6 mt -105.62 117.71 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -80.71 12.13 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 859' ' ' LEU . 11.1 p90 -131.2 145.98 60.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.99 22.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 97.4 t -110.66 147.37 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -75.11 155.32 86.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.81 13.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.284 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.17 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.35 -53.26 25.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 29.4 tp -50.24 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.05 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -51.98 -47.12 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -55.29 -48.39 74.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 873' ' ' GLU . 52.1 mt -57.94 -69.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 872' ' ' ILE . 52.0 mt-10 -36.98 -60.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 47.2 m -46.21 -64.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 75.0 mt -41.98 -49.94 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 30.8 mt -52.53 -44.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -79.23 -12.7 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -86.92 26.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.98 48.18 18.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -125.84 -37.03 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 93.6 mmm -142.23 149.07 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.21 144.6 50.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.75 128.23 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -61.29 122.97 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -38.75 -38.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.27 -65.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.73 144.0 23.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.672 0.748 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.45 4.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -78.38 -20.95 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . 0.42 ' CD ' HG21 ' A' ' 845' ' ' THR . 15.0 tt0 -107.44 132.57 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -120.75 133.92 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -104.57 157.73 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 895' ' ' ALA . 73.6 t80 -86.42 135.41 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.8 pt -129.93 -33.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 893' ' ' TYR . . . -34.12 140.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 29.4 t -109.55 126.18 53.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . 175.87 146.22 5.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.85 26.28 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.739 2.293 . . . . 0.0 112.293 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 85.3 p -151.64 160.22 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 12.9 m -115.32 -46.88 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 23.3 t -54.87 160.88 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 110.852 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 73.4 p -51.92 -57.05 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -46.57 106.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 70.0 p -102.95 94.25 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.806 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 65.2 m -85.02 133.43 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -150.24 49.75 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.3 pt -56.15 142.43 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -142.48 122.38 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 13.6 mmm -111.98 94.71 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -82.77 64.29 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.49 123.67 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.4 t -120.97 141.48 50.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.84 86.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -150.13 171.63 16.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -118.48 129.53 55.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -163.58 107.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -60.18 102.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 7.8 t -115.44 133.98 55.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 82.2 p -64.48 172.08 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 3.2 t -37.59 131.57 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -116.2 -39.47 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 827' ' ' ASP . 19.5 ttp-105 -54.36 -42.99 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 10.7 p -49.2 -23.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 825' ' ' PHE . 5.3 t80 -78.72 -44.03 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 827' ' ' ASP . 5.5 mm100 -99.22 5.35 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 823' ' ' ARG . 0.4 OUTLIER -37.69 -47.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 827' ' ' ASP . 12.0 tpp180 -47.53 -71.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.1 pt20 -47.08 -30.32 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.461 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.6 m-85 -76.06 -35.18 59.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . 0.427 HG13 ' CD1' ' A' ' 859' ' ' LEU . 4.1 mp -70.82 -56.63 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -53.02 -38.67 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.46 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.76 58.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . 0.463 HG23 ' CD1' ' A' ' 875' ' ' LEU . 67.6 mt -61.34 -62.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 84.3 t -44.07 -39.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -69.34 -53.46 19.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 855' ' ' VAL . 40.1 mt -55.28 -52.69 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.437 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.1 mmm -58.85 -50.02 75.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.496 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 31.1 ttpt -48.26 -57.44 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 13.4 mmt -54.07 -48.23 70.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.8 mmm180 -90.57 99.11 12.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 27.7 mmtp -34.38 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 63.1 m -141.54 136.16 30.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.4 tp -148.57 164.58 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 31.9 m -109.35 178.59 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -63.55 -53.02 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -42.32 -63.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.93 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 12.0 tp -41.24 -66.58 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.51 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 28.1 m -60.1 -34.64 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 8.4 t -55.87 -57.4 12.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . 0.421 ' CB ' HD11 ' A' ' 839' ' ' ILE . 6.1 mm-40 -57.98 -50.18 74.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . 0.423 ' N ' HD11 ' A' ' 839' ' ' ILE . 55.3 t -44.68 -53.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 43.7 m-85 -57.85 -47.87 81.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -54.61 -28.97 50.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -83.5 -41.29 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.427 ' CD1' HG13 ' A' ' 832' ' ' ILE . 14.6 mt -83.81 130.93 34.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -22.12 62.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -114.62 149.93 43.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.18 67.91 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.83 140.47 35.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -64.47 158.02 68.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -40.75 4.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.8 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 868' ' ' LEU . 42.3 m-20 -58.23 -62.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 867' ' ' ASP . 24.6 tp -34.45 -56.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -55.18 -48.52 73.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 871' ' ' ARG . 71.8 mttt -55.53 -68.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . 0.437 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -36.72 -48.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 63.2 mt -53.93 -68.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.29 -59.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 43.8 m -42.49 -60.32 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 836' ' ' ILE . 59.1 mt -46.39 -44.56 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.457 HD12 ' CE1' ' A' ' 891' ' ' TYR . 80.6 mt -60.07 -33.1 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.47 -11.34 49.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -86.81 27.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 55.13 37.09 28.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -114.9 -36.8 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.437 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 91.8 mmm -142.21 148.7 38.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 11.3 pt-20 -118.34 148.84 42.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -87.61 127.16 35.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.48 118.78 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 885' ' ' LYS . 0.0 OUTLIER -42.11 -32.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.03 -50.26 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 2.6 t-20 -154.51 141.23 13.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.8 -12.36 32.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.21 -39.27 86.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.41 130.98 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 22.5 m-85 -118.87 144.99 46.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.438 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 24.1 m-80 -110.99 161.8 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.497 ' CE1' ' HB1' ' A' ' 895' ' ' ALA . 30.9 t80 -90.07 129.86 36.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 2.2 pt -120.69 -35.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.497 ' HB1' ' CE1' ' A' ' 893' ' ' TYR . . . -52.38 138.32 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 3.2 m -120.88 114.39 21.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -155.28 177.52 32.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 119.21 6.19 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 3.2 m -111.18 127.06 55.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 1.4 t -142.75 158.34 43.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.4 t -157.01 166.65 32.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.7 p -116.9 158.23 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -132.1 100.56 0.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 14.3 p -166.95 116.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 27.0 t -154.25 159.67 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 179.08 -30.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.7 tp -54.19 124.98 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.768 0.318 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -131.28 179.03 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 4.9 ptm -108.85 -179.03 3.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 812' ' ' GLU . 34.4 tttm -136.83 151.48 49.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' A' ' 811' ' ' LYS . 34.5 tt0 -91.03 99.03 12.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 69.7 m -164.35 134.05 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 63.6 t -109.91 99.42 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -120.73 146.04 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -153.72 109.1 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -137.61 131.0 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -89.86 87.16 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 4.1 t -171.1 150.11 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 25.2 p -65.74 91.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 823' ' ' ARG . 55.5 m -141.55 141.16 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.455 ' N ' HG21 ' A' ' 821' ' ' THR . 30.4 mt-10 -34.18 -34.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 821' ' ' THR . 23.5 mmt180 -48.48 -50.99 29.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 825' ' ' PHE . 9.0 p -43.81 -23.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.463 ' N ' HG11 ' A' ' 824' ' ' VAL . 46.0 t80 -68.4 -50.38 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 827' ' ' ASP . 15.0 mt-30 -61.97 -59.54 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 826' ' ' GLN . 29.5 t70 -36.14 -37.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 831' ' ' GLN . 17.0 mtm180 -68.79 -73.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -39.63 -33.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.493 ' O ' ' CB ' ' A' ' 834' ' ' ALA . 38.0 m-85 -75.22 -40.82 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 828' ' ' ARG . 7.8 mm100 -59.73 -47.43 85.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.24 -60.43 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.18 -41.81 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -58.16 -55.73 31.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.54 -48.32 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . 0.403 ' CG2' ' SD ' ' A' ' 840' ' ' MET . 70.8 mt -55.67 -65.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 38.9 t -42.59 -48.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -59.89 -46.65 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 18.3 mt -62.79 -64.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 843' ' ' ARG . 8.0 mtt -49.48 -59.62 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 840' ' ' MET . 63.0 tttt -37.5 -46.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 2.6 mmt -70.81 -40.02 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 840' ' ' MET . 28.4 mmt180 -95.15 95.31 8.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 843' ' ' ARG . 28.7 mmtm -35.77 -43.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 90.3 m -137.95 132.32 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.9 tp -146.97 148.34 31.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.2 m -94.53 174.75 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -59.12 -60.49 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -48.11 -54.32 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -35.47 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.66 -69.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . . . . . . . . . 32.8 m -49.89 -32.08 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 40.1 t -63.9 -51.54 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.47 -46.74 80.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 84.7 t -55.65 -58.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.54 -40.24 90.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -71.63 -40.27 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 12.3 mt -93.15 116.83 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -84.48 19.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . 0.556 ' CE2' HG22 ' A' ' 863' ' ' VAL . 18.1 p90 -129.61 151.0 77.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.01 22.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.556 HG22 ' CE2' ' A' ' 861' ' ' PHE . 73.8 t -120.23 110.16 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -38.34 152.81 0.16 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -34.25 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.43 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -65.09 -54.21 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.39 -62.14 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -50.27 -52.66 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -52.29 -46.97 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -51.72 -52.19 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 78.6 mt -53.07 -58.8 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -47.04 -57.74 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 11.1 m -46.11 -61.74 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 29.3 mt -43.25 -50.9 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.01 -40.08 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.77 -15.92 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -84.76 16.91 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.71 50.36 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . 0.435 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 39.0 m-85 -122.94 -25.48 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.433 ' N ' HD12 ' A' ' 894' ' ' ILE . 71.8 mmm -149.13 161.87 41.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.423 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.3 pt-20 -133.82 139.96 46.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -76.52 119.41 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -51.33 127.32 19.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -49.61 -29.87 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.12 -68.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -133.64 143.35 47.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 1.12 4.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -88.64 -25.13 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -96.36 133.53 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -122.42 147.6 46.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.4 m-80 -117.05 160.14 21.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.403 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 31.9 t80 -88.03 138.16 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . 0.435 ' CG1' ' C ' ' A' ' 880' ' ' TYR . 3.1 pt -129.88 -42.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 894' ' ' ILE . . . -34.13 140.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 3.5 t -91.02 118.6 30.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -175.44 143.57 6.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.94 58.73 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 30.6 t -78.54 102.81 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 18.4 m -70.48 123.1 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.44 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 43.5 t -117.85 153.92 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 9.1 t -136.19 178.49 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.82 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -165.62 116.61 0.7 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 48.1 t -150.5 146.86 26.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 1.9 t -145.23 170.37 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -131.85 156.68 22.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.91 146.73 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.51 166.92 24.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 24.1 mmt -113.79 146.68 39.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -125.73 111.19 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -95.79 119.28 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 56.2 m -111.15 135.51 51.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 815' ' ' GLU . 13.0 p -132.78 140.75 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 814' ' ' VAL . 45.4 mt-10 -121.58 141.64 50.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -118.53 127.24 53.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.21 171.36 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -72.77 80.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 10.9 t -139.14 137.08 35.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 21.4 m -81.91 102.63 11.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 12.8 m -122.84 144.51 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 823' ' ' ARG . 12.6 pt-20 -49.6 -44.64 47.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 1.1 tmt_? -54.38 -48.66 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 88.8 t -43.36 -50.76 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -45.62 -54.75 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 827' ' ' ASP . 26.5 mt-30 -61.92 -49.22 77.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 826' ' ' GLN . 30.2 t70 -38.33 -33.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 831' ' ' GLN . 7.2 ttm105 -70.48 -70.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -38.58 -32.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.466 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.4 m-85 -75.88 -42.63 48.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 828' ' ' ARG . 9.4 mm-40 -55.2 -43.44 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.3 mp -73.09 -62.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -49.04 -40.14 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.02 68.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.06 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 93.7 mt -57.67 -60.3 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 87.3 t -52.01 -53.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -55.06 -49.1 72.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.0 mt -66.15 -68.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.418 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.9 mmm -40.4 -44.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -55.77 -54.36 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.6 mmm -56.8 -42.41 79.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 844' ' ' LYS . 9.4 mmm180 -96.4 101.2 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 843' ' ' ARG . 23.5 mmtm -35.6 -44.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 30.9 m -137.55 134.62 35.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.4 tp -145.76 148.15 32.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 59.2 p -99.69 -178.08 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . 0.504 ' CD2' HG13 ' A' ' 852' ' ' VAL . 13.7 t60 -64.77 -53.34 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -51.76 -55.93 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.4 -38.72 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.8 -67.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.504 HG13 ' CD2' ' A' ' 848' ' ' HIS . 30.8 m -46.48 -42.19 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 852' ' ' VAL . 40.1 t -54.06 -58.69 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.42 -55.89 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 60.1 t -39.51 -59.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -55.08 -40.15 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.47 -37.65 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.67 -35.68 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.491 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 11.7 mt -93.2 116.44 29.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -84.7 22.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . 0.558 ' CE2' HG22 ' A' ' 863' ' ' VAL . 34.8 p90 -133.66 152.25 78.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.18 22.85 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.558 HG22 ' CE2' ' A' ' 861' ' ' PHE . 87.4 t -117.97 116.25 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -48.48 153.35 1.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.37 12.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.333 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.79 -60.89 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 868' ' ' LEU . 0.9 OUTLIER -54.35 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 867' ' ' ASP . 33.0 tp -35.13 -56.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -50.94 -50.42 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 871' ' ' ARG . 45.9 mttm -55.53 -66.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -37.2 -47.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.17 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -49.62 -59.77 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 4.1 m -43.7 -58.09 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -48.68 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.547 HD13 ' CE1' ' A' ' 891' ' ' TYR . 77.4 mt -54.62 -37.72 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.52 -14.12 57.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . 0.431 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 27.0 mtp85 -84.59 25.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.16 47.84 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 42.2 m-85 -124.46 -37.82 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 90.5 mmm -137.59 158.46 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 4.9 pt-20 -127.38 141.11 51.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.74 118.66 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 885' ' ' LYS . 32.5 t0 -48.26 112.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 884' ' ' ASP . 30.6 mtpt -34.44 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.76 -61.37 2.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -141.99 143.76 29.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.79 -11.82 31.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -67.63 -36.42 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -96.39 127.33 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.547 ' CE1' HD13 ' A' ' 876' ' ' ILE . 13.7 m-85 -113.29 154.41 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 37.1 m-80 -123.05 155.88 36.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -82.12 129.21 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.24 -35.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . -47.04 144.05 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 16.0 t -118.52 111.67 18.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -114.55 162.69 12.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 174.73 9.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 3.2 m -168.08 112.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 37.1 t -59.01 105.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 71.2 p -170.77 113.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.4 t -151.47 172.21 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -163.52 148.24 14.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 26.4 t -164.42 136.71 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 58.7 p -163.24 177.68 8.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 117.39 112.09 2.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -159.21 144.73 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -163.94 138.28 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -81.8 139.5 34.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 134.82 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -38.86 152.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.1 t -150.57 155.94 40.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 31.0 m -84.24 126.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -158.41 114.49 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -82.22 134.43 35.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -169.32 159.97 9.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -103.19 96.31 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 24.7 t -135.79 145.26 46.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 10.3 t -169.7 123.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 5.5 p -123.0 177.9 5.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -104.87 -47.68 3.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -44.14 -32.5 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 825' ' ' PHE . 5.2 p -59.94 -44.43 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.403 ' N ' HG13 ' A' ' 824' ' ' VAL . 18.3 t80 -40.63 -41.97 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.95 -61.28 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -49.43 -25.97 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -72.15 -70.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -39.57 -41.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -67.22 -44.68 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -54.44 -45.07 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.9 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 833' ' ' ASP . 21.0 t0 -39.25 -41.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -65.4 -55.46 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -51.15 -40.42 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.44 -57.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 31.6 t -55.55 -31.98 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -74.68 -32.19 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 20.5 mt -79.0 -50.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.469 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.3 mmm -60.93 -46.22 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -51.69 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 8.6 mmt -53.4 -38.57 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.2 mmm180 -97.26 95.0 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.2 mmtm -34.32 -44.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 17.8 m -142.18 124.54 15.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.13 161.25 36.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 1.2 t -102.13 176.34 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.0 -60.88 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -50.08 -46.28 53.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.6 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 40.4 tp -69.46 -68.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.454 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 21.3 m -41.71 -43.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.7 t -60.3 -54.11 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -54.51 -49.5 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.38 -49.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 21.5 m-85 -53.8 -42.6 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -67.66 -31.47 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -75.47 -28.94 59.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.19 124.63 45.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -63.08 -13.93 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -123.04 148.46 54.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 147.52 63.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 72.4 t -116.42 129.88 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -56.07 155.26 12.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.89 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -54.33 -61.49 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -53.94 -62.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 17.0 tp -41.31 -58.23 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -47.81 -50.86 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.23 -41.53 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.46 -47.69 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.99 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -43.82 -60.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 t -42.87 -59.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.57 -48.1 28.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 58.2 mt -54.68 -37.49 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.22 -13.37 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -88.33 32.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.85 48.61 22.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -124.5 -32.26 3.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 82.6 mmm -150.25 146.75 26.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.98 144.86 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -78.78 132.18 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -67.57 114.75 6.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -40.39 -33.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.33 -66.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.6 t-20 -135.69 140.21 33.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.747 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.4 Cg_endo -69.81 -6.84 19.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.273 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -79.97 -12.72 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -108.66 140.65 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -133.28 139.04 46.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -109.12 155.69 20.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.414 ' CE1' ' HB1' ' A' ' 895' ' ' ALA . 68.9 t80 -82.81 135.02 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.8 pt -128.83 -41.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 894' ' ' ILE . . . -35.45 143.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 28.7 t -95.32 147.91 22.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -75.76 146.25 33.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 86.33 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 86.8 p -84.38 133.25 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 66.3 m -69.19 -48.86 60.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 73.4 p -162.44 149.86 13.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.887 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.4 t -154.46 161.79 41.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -172.26 121.65 0.89 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 46.9 t -149.71 121.8 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 34.1 t -162.29 164.57 27.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 88.03 43.15 5.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.4 pt -72.47 153.92 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -98.27 164.91 12.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 2.4 ttt -115.74 154.64 29.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . 0.458 ' HE3' ' N ' ' A' ' 811' ' ' LYS . 0.1 OUTLIER -55.36 97.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -134.87 157.5 46.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 90.4 m -158.94 135.79 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 815' ' ' GLU . 95.8 t -108.11 109.69 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 814' ' ' VAL . 16.3 pt-20 -36.78 135.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 817' ' ' GLN . 23.1 mm-40 -108.56 83.71 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 816' ' ' GLU . 74.4 mt-30 -34.59 -59.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -40.56 147.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.055 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 41.6 m -103.1 117.48 34.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 23.4 p -127.28 133.8 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 31.7 p -108.26 93.74 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -86.55 -55.08 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -48.39 -46.46 37.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.91 -52.62 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -54.43 -39.12 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 827' ' ' ASP . 28.1 mt-30 -68.55 -63.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 826' ' ' GLN . 5.6 t0 -34.45 -35.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 831' ' ' GLN . 20.3 tpp85 -65.76 -70.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 7.0 pt20 -40.91 -31.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.434 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 34.6 m-85 -78.23 -37.7 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 15.6 mt-30 -60.39 -47.03 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.74 -54.48 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -54.08 -36.19 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.25 -50.1 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.04 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . 0.464 ' CG2' ' SD ' ' A' ' 840' ' ' MET . 57.3 mt -62.41 -59.02 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.25 -37.51 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -64.02 -43.06 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 43.9 mt -70.35 -57.04 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.464 ' SD ' ' CG2' ' A' ' 836' ' ' ILE . 5.3 mtt -55.44 -59.52 4.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 840' ' ' MET . 41.9 tttm -36.53 -58.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.6 mtt -62.6 -38.29 89.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 844' ' ' LYS . 36.2 mmt180 -93.98 96.9 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 843' ' ' ARG . 61.1 mmtt -36.72 -47.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.2 m -138.55 123.46 18.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . 0.401 ' HG ' ' CB ' ' A' ' 850' ' ' LEU . 9.5 tp -135.57 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 71.5 m -93.15 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -66.49 -38.56 87.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.47 -48.16 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 850' ' ' LEU . 2.7 mm? -63.2 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 66.3 tp -68.82 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 853' ' ' SER . 33.8 m -45.57 -45.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 852' ' ' VAL . 13.2 t -54.64 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -55.09 -46.68 75.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -52.08 -55.32 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.82 -40.85 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.34 -30.89 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -82.93 -36.48 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 21.0 mt -89.09 127.49 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.59 150.38 45.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 159.44 53.43 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.383 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.86 142.23 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -69.12 154.35 95.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -36.92 9.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -52.84 52.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 25.3 tp -45.24 -56.3 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -57.22 -46.1 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -55.98 -46.31 78.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 71.5 mt -54.8 -67.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -39.59 -57.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 38.8 t -48.49 -58.58 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 58.5 mt -47.97 -45.0 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 881' ' ' MET . 30.0 mt -57.09 -38.93 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.18 -14.27 55.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -84.82 23.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.83 49.51 7.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -124.84 -37.17 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 80.1 mmm -144.63 146.36 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 7.5 pt-20 -115.89 141.35 48.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -77.66 117.29 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 6.9 t0 -53.38 117.51 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -43.95 -36.12 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.465 ' HG3' ' ND2' ' A' ' 887' ' ' ASN . 11.5 pt-20 -58.64 -43.32 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.465 ' ND2' ' HG3' ' A' ' 886' ' ' GLU . 25.9 p30 -165.92 143.73 4.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -0.21 6.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.406 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.89 -22.26 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 884' ' ' ASP . 24.0 tt0 -103.81 136.33 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -126.22 136.6 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 46.7 m-80 -108.17 153.28 23.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 895' ' ' ALA . 38.0 t80 -83.5 134.01 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 895' ' ' ALA . 5.1 pt -127.74 -40.14 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.481 ' HB2' ' CE1' ' A' ' 893' ' ' TYR . . . -35.06 148.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 67.0 m -104.05 -42.02 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -160.47 -166.49 19.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -9.16 25.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 46.9 m -40.99 125.81 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 21.5 t -128.6 87.01 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 2.3 t -111.3 151.7 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 92.9 p -132.63 156.22 47.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 165.53 83.14 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 28.9 t -123.12 119.49 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 19.5 m -110.96 -55.2 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 42.26 -158.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 808' ' ' ILE . 2.8 pp -127.62 161.8 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -172.65 134.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 14.3 ptm -91.34 117.78 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -124.19 176.82 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -41.84 162.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 26.5 p -103.0 151.71 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 32.8 m -109.56 144.81 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -153.47 116.07 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -100.05 118.29 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -106.1 116.64 32.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -167.75 168.28 12.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 43.7 m -50.49 168.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.8 p -38.12 103.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 56.5 m -73.29 109.73 7.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -50.95 -45.11 60.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -39.12 -33.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.87 -47.95 89.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 825' ' ' PHE . 8.6 t80 -41.55 -46.27 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -72.75 -49.58 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -45.74 -40.47 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 829' ' ' GLN . 8.0 tmm_? -62.56 -72.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.444 ' N ' ' HD2' ' A' ' 828' ' ' ARG . 9.8 pt20 -41.09 -32.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 15.3 m-85 -75.34 -49.12 20.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -52.03 -37.48 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.62 -65.79 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -43.4 -40.73 3.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.45 -57.58 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -47.25 -36.66 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 51.1 mt -72.53 -65.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.453 ' CG2' HD21 ' A' ' 875' ' ' LEU . 97.2 t -46.06 -27.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -80.77 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 854' ' ' GLU . 23.7 mt -58.3 -49.24 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.472 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.6 mmm -57.91 -37.86 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 23.9 ttpp -62.68 -60.37 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 10.4 mmm -49.81 -35.61 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -101.56 102.26 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -39.76 -32.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 38.7 m -151.99 131.2 12.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.3 tp -143.48 159.17 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 24.9 m -108.84 178.73 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -59.03 -57.29 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -44.9 -63.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 850' ' ' LEU . 0.7 OUTLIER -59.21 -41.41 88.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.42 ' CD2' HG12 ' A' ' 872' ' ' ILE . 10.0 tp -51.45 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 868' ' ' LEU . 23.4 m -52.71 -42.96 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 6.7 t -50.42 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . 0.464 ' CB ' HG23 ' A' ' 839' ' ' ILE . 64.5 mm-40 -54.58 -52.44 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 36.9 t -48.0 -56.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -51.36 -45.78 62.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -56.87 -34.29 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -74.28 -32.38 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 859' ' ' LEU . 4.4 mt -97.18 120.38 37.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -2.09 36.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -118.37 149.34 45.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.78 48.78 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.8 t -120.18 154.7 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -79.14 150.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -41.35 4.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.85 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.28 -61.05 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 852' ' ' VAL . 17.7 tp -39.31 -59.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -47.62 -54.71 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -51.64 -46.06 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -56.05 -47.24 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . 0.42 HG12 ' CD2' ' A' ' 851' ' ' LEU . 50.4 mt -54.91 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 874' ' ' SER . 7.2 mm-40 -44.91 -68.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 877' ' ' ASP . 2.5 t -38.46 -67.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 837' ' ' VAL . 78.3 mt -39.92 -51.9 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.64 -31.2 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 874' ' ' SER . 2.3 m-20 -86.68 -7.27 58.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 878' ' ' ARG . 8.5 mmm180 -84.03 10.13 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 17.7 t70 74.44 25.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -104.68 -34.89 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 58.3 mmm -139.99 160.97 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -134.8 145.68 48.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -78.7 127.75 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 886' ' ' GLU . 38.3 t0 -56.27 114.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -40.83 -27.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.4 mt-10 -68.94 -57.07 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.1 t-20 -144.96 140.23 16.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 54.1 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -84.28 -3.83 58.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -117.31 150.79 38.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -134.24 141.07 46.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -114.61 148.76 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.468 ' CZ ' ' HB1' ' A' ' 895' ' ' ALA . 66.8 t80 -83.28 130.82 35.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 895' ' ' ALA . 2.9 pt -124.55 -38.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 893' ' ' TYR . . . -36.8 132.59 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 1.8 t -95.51 93.28 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -65.57 175.34 16.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.9 4.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 56.0 m -41.29 103.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 5.6 t -89.21 -38.51 14.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 3.6 t -169.37 169.95 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 8.5 t -154.78 178.5 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -116.43 -154.31 10.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 1.3 t -169.77 176.79 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 27.3 p -165.94 172.0 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -178.43 165.83 35.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -133.7 171.32 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.759 0.314 . . . . 0.0 111.17 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -139.05 142.33 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.7 172.07 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.61 171.96 13.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -144.91 110.55 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 23.3 p -74.92 89.93 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.01 144.45 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.01 146.16 11.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.32 134.9 40.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -99.94 170.97 8.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -69.93 -51.98 28.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 58.4 m -42.02 143.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.6 m -56.3 88.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 7.6 m -70.57 159.82 33.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -82.98 -52.2 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 823' ' ' ARG . 4.4 tmm_? -51.34 -55.74 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 12.6 p -47.37 -36.07 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -70.09 -56.68 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 828' ' ' ARG . 43.1 mt-30 -55.79 -23.3 29.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 826' ' ' GLN . 1.2 p-10 -35.32 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 826' ' ' GLN . 46.2 mtt85 -72.05 -68.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.5 pt20 -38.3 -32.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.448 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 44.6 m-85 -77.41 -45.61 25.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 828' ' ' ARG . 16.8 mm-40 -57.94 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 2.3 mp -73.45 -55.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -52.37 -41.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -64.45 -59.27 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -44.96 -37.67 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 875' ' ' LEU . 56.8 mt -70.29 -70.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 875' ' ' LEU . 60.8 t -42.12 -35.74 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -70.67 -55.67 8.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.6 mt -53.82 -44.52 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 3.4 mmt -58.4 -48.63 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -49.63 -58.33 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 3.8 mmt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.1 mmm180 -108.67 92.8 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.6 mptp? -35.18 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 90.7 m -102.79 122.66 44.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.83 160.51 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.6 m -100.82 172.84 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -61.44 -58.18 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.28 -44.59 61.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 850' ' ' LEU . 3.4 mm? -62.16 -35.78 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.81 -67.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 5.2 m -44.55 -39.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 852' ' ' VAL . 29.9 t -59.98 -57.22 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.03 -52.15 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 36.4 t -47.32 -55.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 20.3 m-85 -53.36 -44.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.27 -33.21 69.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -78.86 -35.95 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.7 139.37 32.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -84.8 -17.91 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -117.49 147.24 40.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 141.5 45.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 94.3 t -119.83 134.15 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -63.53 155.99 73.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.06 24.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.52 -66.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.16 -48.0 83.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 23.8 tp -49.48 -56.45 9.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -51.36 -56.88 10.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -48.28 -43.26 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.81 -49.75 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 62.9 mt -54.64 -67.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -41.07 -60.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 877' ' ' ASP . 4.2 t -44.99 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 837' ' ' VAL . 38.9 mt -38.91 -48.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 891' ' ' TYR . 69.8 mt -56.04 -37.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 874' ' ' SER . 1.8 t70 -81.84 -9.86 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . 0.432 ' HB2' ' CD2' ' A' ' 880' ' ' TYR . 11.6 mmm180 -82.64 19.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 62.39 29.11 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . 0.432 ' CD2' ' HB2' ' A' ' 878' ' ' ARG . 22.4 m-85 -108.26 -38.69 5.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 96.9 mmm -135.48 146.23 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.78 139.51 51.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -76.07 117.48 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -51.77 130.0 27.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -52.13 -42.7 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 8.6 pt-20 -52.89 -43.14 65.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 9.4 m120 -167.16 142.93 3.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.96 17.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -75.87 -19.32 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -109.82 131.69 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' A' ' 876' ' ' ILE . 11.5 m-85 -118.11 144.08 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -115.63 158.35 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.502 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 64.9 t80 -86.22 130.79 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.5 pt -124.26 -31.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.502 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -34.66 129.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 35.5 t -108.38 123.72 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -147.42 163.89 28.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 134.08 27.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 36.8 p -43.57 -46.09 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 78.2 p -113.09 127.51 56.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 802' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 801' ' ' GLY . 1.8 m 34.92 50.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.892 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 90.4 p -78.96 158.75 27.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.75 100.71 2.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 19.0 m -150.05 168.54 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 14.0 m -132.04 137.39 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -151.4 49.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 42.5 mm -134.19 111.15 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -111.5 153.38 26.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.24 176.04 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.96 118.23 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -130.43 162.51 28.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 62.8 m -64.24 146.65 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 14.4 p -128.28 137.39 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -103.44 151.0 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -92.05 140.44 29.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -120.78 95.75 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -39.95 -56.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 66.4 m -57.31 150.09 18.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 72.4 p -51.64 144.87 10.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 19.2 m -158.8 162.44 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.148 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -96.94 -41.87 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -56.07 -43.67 78.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.86 -20.2 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.22 -46.09 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -55.33 -40.08 70.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -41.07 -35.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -66.47 -67.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.8 pt20 -41.86 -30.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.448 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.3 m-85 -76.56 -48.76 18.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -55.89 -37.64 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.0 mp -73.95 -56.07 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.88 -34.35 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.44 -54.08 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -39.99 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 48.8 mt -67.82 -56.58 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.35 -31.58 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -72.83 -53.79 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 855' ' ' VAL . 26.9 mt -58.98 -53.69 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 4.4 mmm -52.21 -59.04 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 64.8 tttt -42.89 -62.21 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.0 mmt -50.95 -38.27 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.8 mmm180 -99.58 94.96 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 30.5 mmtp -34.33 -44.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 31.7 m -139.68 131.2 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.0 tp -146.38 157.93 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 77.7 p -105.13 -178.97 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . 0.462 ' CD2' HG13 ' A' ' 852' ' ' VAL . 44.7 t60 -64.12 -63.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.94 -56.57 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.55 -44.01 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 872' ' ' ILE . 14.4 tp -55.21 -71.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 848' ' ' HIS . 12.2 m -45.14 -43.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.416 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.6 t -54.93 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . 0.409 ' CB ' HG23 ' A' ' 839' ' ' ILE . 35.8 mm-40 -48.93 -53.87 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . 0.42 ' N ' HD11 ' A' ' 839' ' ' ILE . 49.4 t -47.49 -53.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -51.85 -41.26 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -66.95 -30.15 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -76.66 -37.82 55.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.1 131.4 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -70.92 -20.26 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -112.19 146.44 34.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.52 48.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.23 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.5 t -117.93 134.58 61.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -61.78 153.53 71.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.14 21.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.25 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.72 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.67 -53.56 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 17.9 tp -52.33 -56.52 14.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.35 -56.81 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -52.06 -53.94 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -47.99 -50.9 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' A' ' 851' ' ' LEU . 59.9 mt -53.32 -68.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.13 -52.91 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.421 ' C ' ' HD3' ' A' ' 878' ' ' ARG . 57.9 m -48.19 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 42.0 mt -41.12 -44.83 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 33.4 mt -58.36 -38.25 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 874' ' ' SER . 12.5 t0 -82.42 -16.71 48.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 874' ' ' SER . 1.9 mpt_? -81.53 12.7 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 68.51 42.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -119.33 -29.91 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 91.1 mmm -146.43 150.94 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.26 140.53 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 883' ' ' ARG . 24.9 mtm105 -77.25 146.99 36.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -82.84 123.97 29.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -46.17 -31.21 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.6 pt-20 -63.22 -45.11 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.463 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 16.6 m120 -161.97 143.28 8.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.445 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.3 Cg_endo -69.8 -14.49 36.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.88 -20.77 61.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -101.94 143.1 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.445 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 13.8 m-85 -134.89 152.65 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -120.19 165.08 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 841' ' ' LYS . 53.6 t80 -92.26 121.23 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 895' ' ' ALA . 8.3 pt -115.92 -41.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 894' ' ' ILE . . . -35.64 143.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 2.2 t -111.34 123.53 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -72.8 -157.38 3.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.0 36.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 89.5 p -59.97 121.11 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 2.7 t -39.88 -54.6 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 99.0 p -159.61 166.29 31.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 34.9 p -155.71 159.78 39.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -124.6 -174.97 14.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 2.9 t -150.56 170.0 20.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 55.1 p -119.36 -49.4 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 95.27 160.06 33.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 2.7 pp -115.33 167.79 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.129 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -118.17 104.49 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -100.57 161.21 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 811' ' ' LYS . 0.0 OUTLIER -170.82 158.8 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.96 149.1 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 54.7 p -56.4 170.39 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 86.1 t -123.1 132.62 71.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.84 134.61 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -144.3 148.82 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -53.81 -44.8 70.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -74.0 127.0 31.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 24.8 m -57.22 137.46 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 13.8 t -93.25 146.39 23.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 20.6 p -51.93 133.93 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -87.78 -59.01 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 825' ' ' PHE . 37.5 ttm-85 -53.91 -55.18 29.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 69.9 t -39.25 -25.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 823' ' ' ARG . 81.8 t80 -84.69 -68.86 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 827' ' ' ASP . 0.0 OUTLIER -48.63 -44.93 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.5 ' N ' ' OE1' ' A' ' 826' ' ' GLN . 5.2 t70 -52.41 -44.78 65.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -56.44 -66.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 10.0 pt20 -44.23 -32.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.477 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 25.1 m-85 -77.78 -39.41 44.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -58.41 -49.67 76.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.3 mp -68.76 -53.08 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -55.48 -40.35 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.51 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -56.62 -39.21 73.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 75.1 mt -64.91 -67.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 92.3 t -40.42 -45.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -61.41 -47.14 87.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 18.9 mt -63.95 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 3.5 mmt -55.06 -49.77 70.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -49.88 -63.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.7 mtt -55.44 -40.56 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 63.5 mmt-85 -103.81 85.61 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -34.25 -66.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.2 m -109.05 126.74 53.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -146.06 153.78 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 72.6 m -101.21 147.59 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . 0.509 ' CD2' HG11 ' A' ' 852' ' ' VAL . 5.5 t60 -38.46 -45.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -45.15 -65.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.5 -45.84 91.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 24.4 tp -40.31 -62.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.509 HG11 ' CD2' ' A' ' 848' ' ' HIS . 28.1 m -60.66 -43.13 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.9 m -50.21 -55.24 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -54.76 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 61.0 t -42.43 -53.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -57.79 -41.64 82.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -62.6 -30.52 71.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -82.09 -39.31 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.41 130.16 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -71.13 -27.57 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -105.5 147.03 33.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.03 59.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.632 2.221 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.6 131.87 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.57 158.36 31.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -44.36 -62.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . 0.449 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 6.4 m-20 -54.41 -59.5 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 852' ' ' VAL . 15.5 tp -41.55 -59.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -46.08 -51.44 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . 0.449 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 51.6 mtmt -55.74 -44.76 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 5.7 mmp_? -59.84 -52.13 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.53 -64.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.188 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -47.34 -58.04 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 8.7 t -47.79 -58.21 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 47.3 mt -47.34 -51.56 19.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 65.8 mt -51.81 -40.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.57 -14.09 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . 0.465 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 51.0 mtt180 -84.64 29.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.2 t70 54.27 47.58 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 41.0 m-85 -124.62 -39.26 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 94.7 mmm -138.91 154.25 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.1 pt-20 -126.86 137.14 53.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -75.97 115.82 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.89 123.42 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -45.54 -47.86 14.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 887' ' ' ASN . 6.6 pt-20 -45.87 -37.56 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 886' ' ' GLU . 9.1 m120 -173.43 142.06 0.95 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.725 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.6 3.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -82.32 -35.47 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.93 134.31 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -118.66 150.55 39.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 14.4 m-80 -120.57 153.65 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -84.67 115.64 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 895' ' ' ALA . 11.0 pt -109.25 -41.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 894' ' ' ILE . . . -36.13 -55.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 9.5 t 50.93 42.51 28.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -136.61 145.79 17.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 144.32 53.82 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 3.9 m -115.53 176.84 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 51.9 m -154.7 162.77 40.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.525 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 95.1 p -171.39 159.76 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 2.2 m -170.7 176.11 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -136.9 170.24 23.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 2.1 m -173.73 176.52 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 82.9 p -163.47 164.13 24.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -178.15 176.39 47.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 32.9 mt -135.21 137.66 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -125.39 139.98 53.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -174.48 149.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -164.88 149.56 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.32 129.51 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 24.0 m -130.0 151.11 50.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 2.8 p -102.92 144.07 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -142.07 142.59 32.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -53.91 103.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -129.68 141.96 50.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -71.51 176.08 5.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 50.7 m -77.6 104.98 8.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 9.1 t -90.42 141.65 28.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 81.1 p -69.78 101.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -99.67 -51.93 3.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -42.15 -52.7 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.46 -43.45 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -63.3 -52.6 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.516 ' O ' ' CD2' ' A' ' 830' ' ' TYR . 95.8 mt-30 -40.12 -39.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.08 -54.13 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 831' ' ' GLN . 44.2 mmm-85 -52.88 -69.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.6 pt20 -39.74 -38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 826' ' ' GLN . 10.1 m-85 -67.61 -43.2 81.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 828' ' ' ARG . 45.2 mm-40 -57.08 -48.58 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.0 mp -70.82 -55.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -55.01 -35.03 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.91 -53.68 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.85 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 72.6 mt -61.28 -57.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.446 ' CG2' HD21 ' A' ' 875' ' ' LEU . 96.8 t -53.9 -48.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -53.31 -61.59 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 31.6 mt -52.69 -47.92 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 14.7 mtt -56.1 -61.98 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 6.2 ttpm? -39.32 -65.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 28.0 mmt -48.12 -38.41 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 49.4 mmt-85 -100.97 92.95 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.6 mmtm -34.33 -43.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' THR . . . . . 0.428 HG22 ' NE2' ' A' ' 890' ' ' GLN . 97.2 m -139.86 125.04 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 11.6 tp -137.91 155.27 49.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 37.1 p -93.83 171.56 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . 0.453 ' CD2' HG12 ' A' ' 852' ' ' VAL . 15.7 t60 -64.63 -46.7 81.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -56.25 -55.44 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.16 -32.84 73.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 18.4 tp -66.08 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.453 HG12 ' CD2' ' A' ' 848' ' ' HIS . 17.2 m -48.18 -39.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 8.1 t -60.3 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -47.07 -49.3 21.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.24 -56.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 28.7 m-85 -52.19 -41.7 62.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -62.16 -34.51 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -75.85 -37.58 58.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.95 139.92 29.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.39 -25.29 54.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -112.81 147.81 37.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.61 62.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.3 t -124.25 126.22 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -52.68 158.93 1.91 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.24 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -50.48 -59.45 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.83 -64.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.3 tp -38.2 -51.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -55.17 -47.26 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -54.64 -55.99 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -48.34 -44.72 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.69 -58.48 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -52.83 -55.96 19.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 16.9 m -46.01 -53.49 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . 0.446 HD21 ' CG2' ' A' ' 837' ' ' VAL . 42.6 mt -52.34 -52.9 50.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 73.1 mt -51.4 -39.22 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -75.4 -20.98 58.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -83.14 12.18 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 45.6 t0 69.24 34.17 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.27 -32.91 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 75.0 mmm -147.42 160.11 42.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.43 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 10.4 pt-20 -129.84 148.85 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . 0.448 ' NE ' ' HB3' ' A' ' 888' ' ' PRO . 5.3 mtp-105 -76.48 111.23 11.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . 0.49 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 62.3 t0 -51.69 120.2 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 884' ' ' ASP . 6.7 mt-10 -70.05 -44.06 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 884' ' ' ASP . 54.8 m-20 -168.99 152.36 5.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.695 0.759 . . . . 0.0 110.828 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.541 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.1 Cg_endo -69.77 -21.43 33.45 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.8 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . 0.49 ' NE2' ' OD2' ' A' ' 884' ' ' ASP . 34.0 tt0 -92.4 129.29 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.541 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 21.6 m-85 -116.22 138.04 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 4.0 m-80 -105.13 148.54 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 895' ' ' ALA . 10.4 t80 -80.28 128.49 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.59 -26.76 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.193 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . -67.32 88.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 5.3 t -46.86 -29.12 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . 157.73 -161.83 31.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -166.4 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.385 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 14.8 m -69.51 83.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 47.1 t -117.8 145.39 44.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 5.0 t -111.54 42.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.2 m -152.59 154.7 35.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -106.53 -172.69 23.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 15.8 t -160.53 123.24 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 19.9 m -63.29 155.38 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -91.22 148.18 19.21 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.434 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.28 149.38 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -107.54 162.6 13.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.71 130.26 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -158.77 133.41 8.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -162.47 113.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 44.4 p -110.46 155.47 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 90.0 t -107.27 121.49 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -161.61 121.86 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -112.97 82.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -150.64 151.01 31.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -94.72 105.16 17.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 1.2 t -173.05 121.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 51.7 m -61.8 135.62 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.133 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 822' ' ' GLU . 27.8 m -147.93 144.05 27.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 821' ' ' THR . 28.0 tp10 -34.57 -58.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -54.39 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 90.7 t -48.78 -45.47 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -52.67 -53.63 44.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 827' ' ' ASP . 11.6 mm-40 -41.99 -55.85 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 826' ' ' GLN . 10.6 t70 -34.5 -36.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 826' ' ' GLN . 22.0 ttm-85 -67.55 -70.4 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.6 pt20 -39.51 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.2 m-85 -74.26 -45.26 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 828' ' ' ARG . 56.5 mm-40 -55.29 -43.65 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.14 -57.51 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -50.45 -51.55 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.14 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.22 97.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . 0.495 ' CG2' ' SD ' ' A' ' 840' ' ' MET . 90.7 mt -61.33 -59.42 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.452 ' CG2' HD22 ' A' ' 875' ' ' LEU . 83.8 t -47.83 -50.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -56.2 -53.84 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . 0.405 HD11 ' CB ' ' A' ' 854' ' ' GLU . 18.8 mt -55.98 -60.71 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.495 ' SD ' ' CG2' ' A' ' 836' ' ' ILE . 7.8 mtt -53.8 -60.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 840' ' ' MET . 46.9 tttt -35.41 -52.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.15 -40.32 90.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.7 mmm180 -99.06 95.77 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.0 OUTLIER -34.33 -55.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.5 m -124.52 134.44 53.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.1 tp -148.59 149.36 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 52.0 p -91.64 172.83 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.14 -60.14 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -44.53 -54.25 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.37 -42.48 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.8 -62.41 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 853' ' ' SER . 34.1 m -52.51 -41.28 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.464 ' N ' HG21 ' A' ' 852' ' ' VAL . 45.3 t -52.03 -60.73 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . 0.405 ' CB ' HD11 ' A' ' 839' ' ' ILE . 61.1 mm-40 -51.74 -55.21 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.41 -55.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -56.51 -44.93 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -52.9 -34.26 54.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -82.59 -39.82 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.525 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 15.7 mt -88.05 115.74 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -85.61 26.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . 0.561 ' CE2' HG21 ' A' ' 863' ' ' VAL . 13.4 p90 -136.4 152.91 75.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.8 28.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.561 HG21 ' CE2' ' A' ' 861' ' ' PHE . 95.4 t -130.39 118.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -49.84 154.81 1.68 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.05 8.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.11 -52.67 62.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.5 -58.58 7.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 0.437 HD22 ' CG1' ' A' ' 852' ' ' VAL . 20.1 tp -42.99 -57.32 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -54.04 -54.03 44.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -47.77 -53.48 15.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 829' ' ' GLN . 31.2 mmm180 -53.53 -49.31 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.01 -52.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -53.64 -60.44 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 61.6 m -41.24 -54.46 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 837' ' ' VAL . 31.3 mt -51.41 -53.39 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.542 HD12 ' CE1' ' A' ' 891' ' ' TYR . 78.5 mt -48.82 -46.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.34 -12.64 60.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 34.1 mtt180 -86.14 31.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.66 48.21 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.9 m-85 -125.37 -37.74 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 78.2 mmm -141.8 161.38 38.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.434 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.6 pt-20 -130.94 137.71 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -76.01 119.75 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -53.58 123.93 13.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -45.99 -35.57 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.35 -49.51 71.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.419 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.2 t-20 -156.54 139.83 11.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.5 Cg_endo -69.75 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -72.98 -39.95 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.19 116.09 28.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.542 ' CE1' HD12 ' A' ' 876' ' ' ILE . 13.3 m-85 -100.19 149.32 23.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.434 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 54.4 m-20 -117.72 148.76 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 22.6 t80 -81.48 127.41 32.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 5.2 pt -120.43 -34.49 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 893' ' ' TYR . . . -54.62 159.46 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 89.4 p -140.41 113.27 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -100.54 143.38 16.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 97.02 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.316 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 29.0 t -55.78 130.8 44.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 34.9 p -124.3 126.8 46.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 20.7 t -44.21 109.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 70.4 p -86.56 149.32 25.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 136.67 53.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 38.5 t -87.5 141.71 28.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 72.5 p -118.67 177.47 4.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 177.8 89.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.43 172.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -145.62 117.85 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 27.6 mmt -54.5 146.76 15.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.49 122.06 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -118.11 112.03 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 7.6 p -77.1 -5.8 50.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 87.2 t -139.54 112.43 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.69 153.99 18.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -106.11 -46.92 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -139.76 143.98 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -56.08 98.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 59.1 m -73.18 131.93 42.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 65.3 p -69.18 110.96 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 22.5 m -140.18 141.07 36.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 824' ' ' VAL . 30.6 mt-10 -71.64 -43.88 65.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 823' ' ' ARG . 5.5 mmm180 -36.77 -33.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 822' ' ' GLU . 3.4 t -65.15 -56.36 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -50.27 -21.59 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 827' ' ' ASP . 55.8 mt-30 -92.79 -43.62 8.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 826' ' ' GLN . 3.0 t70 -35.07 -35.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 831' ' ' GLN . 68.7 mtm180 -72.01 -74.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -39.49 -38.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -72.46 -38.42 68.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 828' ' ' ARG . 6.8 mm-40 -60.93 -45.68 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . 0.408 ' CD1' ' O ' ' A' ' 828' ' ' ARG . 4.2 mp -69.06 -55.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.17 -40.4 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -61.35 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.13 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 875' ' ' LEU . 54.4 mt -60.9 -66.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.404 ' CG2' HD23 ' A' ' 875' ' ' LEU . 99.4 t -45.59 -36.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.86 -56.43 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 39.7 mt -54.95 -55.23 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.456 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.2 mmm -51.2 -48.25 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -50.99 -52.75 39.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.3 mmm180 -91.81 94.68 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.0 mmmp? -34.78 -36.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 843' ' ' ARG . 89.2 m -146.61 124.14 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.0 tp -139.99 152.51 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.2 t -102.01 -178.48 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -63.13 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -41.43 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 850' ' ' LEU . 4.0 mm? -60.63 -38.96 86.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.23 -68.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 32.8 m -44.04 -42.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.1 t -54.92 -60.19 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -51.77 -53.83 35.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -47.37 -52.96 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 27.7 m-85 -53.85 -41.83 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -64.04 -29.45 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -79.64 -41.58 26.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 15.1 mt -86.3 132.13 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -74.0 -15.54 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -119.87 146.31 41.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.61 54.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 79.4 t -111.54 141.73 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -64.72 156.11 79.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.33 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.26 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -53.95 -66.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . 0.405 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 34.4 m-20 -52.11 -55.73 18.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.2 tp -44.81 -51.13 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -54.53 -56.3 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . 0.405 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 33.7 mtmt -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -54.35 -46.37 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.3 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.93 -61.4 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 877' ' ' ASP . 47.4 p -42.56 -67.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 836' ' ' ILE . 59.9 mt -39.36 -51.31 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.95 -36.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 874' ' ' SER . 5.1 t70 -84.8 -9.23 58.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -80.26 12.92 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 879' ' ' ASP . 0.4 OUTLIER 68.58 35.08 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . 0.455 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 23.2 m-85 -116.99 -33.95 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.456 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 90.7 mmm -135.84 166.55 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.452 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.2 pt-20 -142.63 139.94 31.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -76.06 121.77 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 886' ' ' GLU . 45.5 t0 -49.07 112.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 884' ' ' ASP . 17.9 mmtm -37.55 -28.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.7 mt-10 -69.51 -60.94 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -143.48 140.9 18.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.74 7.35 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.16 -23.48 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -107.5 143.12 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -123.65 145.8 48.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 25.2 m-80 -117.22 160.61 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 55.1 t80 -90.52 132.85 35.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . 0.455 ' CG1' ' C ' ' A' ' 880' ' ' TYR . 1.7 pt -123.73 -42.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -36.65 128.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 65.2 m -99.21 87.36 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -112.71 146.23 18.27 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 112.38 3.07 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 39.4 t -61.63 135.05 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 45.0 m -144.5 124.0 13.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 11.9 t -128.2 172.49 10.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 37.1 t -65.37 156.23 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 131.43 -42.12 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 47.6 t -94.26 -59.03 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 3.1 m -85.15 105.63 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.808 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -144.81 85.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.63 105.0 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 0.0 111.095 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -167.96 129.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 11.2 tpp -150.86 123.27 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.33 87.32 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -113.22 116.1 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 74.9 p -126.97 130.46 50.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 33.1 m -121.11 40.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -148.7 147.63 29.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -110.8 109.91 20.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -129.36 104.4 7.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -96.26 83.85 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 34.2 m -148.01 174.64 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 90.2 m -103.08 96.95 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 822' ' ' GLU . 1.6 t -110.68 172.71 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 821' ' ' THR . 36.9 mt-10 -34.55 -64.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 823' ' ' ARG . 19.6 mtm105 -47.91 -54.47 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 825' ' ' PHE . 97.2 t -52.92 -59.6 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 824' ' ' VAL . 1.9 t80 -35.7 -51.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 827' ' ' ASP . 22.6 mt-30 -68.12 -54.3 19.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 826' ' ' GLN . 4.3 m-20 -36.61 -35.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 831' ' ' GLN . 11.1 mmt85 -67.15 -72.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 2.0 pt20 -39.58 -30.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -78.02 -39.54 41.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 828' ' ' ARG . 26.8 mm-40 -61.13 -46.31 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.77 -54.97 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -57.31 -40.51 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -59.85 -57.95 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -51.03 -37.13 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . 0.414 ' CG2' ' SD ' ' A' ' 840' ' ' MET . 71.9 mt -67.21 -63.68 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.79 -46.02 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -61.08 -64.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 24.9 mt -45.99 -56.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.414 ' SD ' ' CG2' ' A' ' 836' ' ' ILE . 22.3 mtt -51.96 -57.78 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 893' ' ' TYR . 27.6 tptt -37.41 -64.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 16.5 mmt -54.96 -43.8 73.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.9 mmp_? -97.38 94.47 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 844' ' ' LYS . 0.0 OUTLIER -35.02 -53.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 91.2 m -125.99 135.65 52.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.3 tp -147.25 149.83 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 848' ' ' HIS . 71.3 p -103.59 150.58 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . 0.511 ' CD2' HG11 ' A' ' 852' ' ' VAL . 25.7 t60 -35.42 -53.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -45.49 -57.65 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 57.0 tp -46.55 -72.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.559 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 16.1 m -45.11 -44.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.415 ' N ' ' CG2' ' A' ' 852' ' ' VAL . 5.6 t -55.99 -65.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -49.4 -47.36 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 52.9 t -49.27 -53.37 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 35.1 m-85 -55.45 -42.87 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.86 -32.01 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -83.44 -36.89 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.29 128.62 35.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -28.21 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -113.06 151.12 43.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 69.8 t -124.89 134.86 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.7 158.89 28.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.7 10.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.74 -60.45 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.39 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 60.8 tp -43.56 -56.34 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -60.97 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.41 -42.84 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -63.23 -50.08 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.04 -62.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -46.71 -59.11 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 m -41.75 -59.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 34.7 mt -45.96 -50.01 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 891' ' ' TYR . 57.9 mt -53.56 -39.56 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.7 -17.29 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -80.26 11.07 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 69.34 46.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -120.13 -34.31 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 52.6 mmm -142.02 150.25 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -117.41 137.0 52.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -76.08 115.38 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.42 126.4 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 886' ' ' GLU . 0.0 OUTLIER -47.99 -30.23 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.468 ' N ' ' HG2' ' A' ' 885' ' ' LYS . 6.5 pt-20 -63.74 -42.95 97.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.464 ' ND2' ' HG3' ' A' ' 886' ' ' GLU . 17.8 p30 -169.02 143.46 2.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -4.36 13.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -75.65 -27.35 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -99.47 133.63 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.56 ' CE1' HD12 ' A' ' 876' ' ' ILE . 22.0 m-85 -119.66 141.33 49.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -115.12 149.8 37.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.566 ' CE2' ' HD2' ' A' ' 841' ' ' LYS . 6.9 t80 -80.07 126.48 31.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 3.7 pt -120.51 -33.19 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.417 ' O ' ' CE2' ' A' ' 893' ' ' TYR . . . -67.6 142.01 56.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 3.6 t -89.38 -54.88 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . 135.23 -95.17 0.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 90.51 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.326 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 77.2 p -158.81 160.15 35.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 93.3 p -158.17 162.6 37.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 34.7 t -164.25 146.7 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 8.5 t -50.95 127.89 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -171.5 -140.87 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 26.3 m 59.59 42.41 17.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 57.1 p -53.58 117.06 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 68.3 -150.98 51.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.4 pt -125.32 41.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -53.75 158.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 12.0 mmt -135.37 142.18 45.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -113.68 143.07 45.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -92.53 175.62 6.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 55.0 p -120.55 141.94 49.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 32.6 m -105.91 125.62 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -76.38 94.96 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -138.4 153.37 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -117.48 102.16 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -126.89 168.12 14.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 88.9 p -82.54 -52.59 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 68.4 p -88.63 129.99 35.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' THR . . . . . 0.461 HG21 ' CG1' ' A' ' 824' ' ' VAL . 10.1 t -149.42 -179.8 7.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -101.02 -38.89 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -59.65 -22.26 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . 0.461 ' CG1' HG21 ' A' ' 821' ' ' THR . 8.8 p -72.23 -6.94 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 825' ' ' PHE . 1.7 t80 -83.64 -41.22 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 827' ' ' ASP . 31.9 mm-40 -65.48 -53.59 40.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 826' ' ' GLN . 5.5 t0 -34.24 -37.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 831' ' ' GLN . 21.4 ttp180 -61.24 -72.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -39.57 -33.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.464 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.5 m-85 -72.31 -39.46 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 828' ' ' ARG . 31.7 mt-30 -64.31 -32.01 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . 0.459 ' CG2' ' HG3' ' A' ' 871' ' ' ARG . 2.2 mp -73.59 -60.1 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 834' ' ' ALA . 0.1 OUTLIER -53.35 -45.48 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . 0.479 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.92 -55.66 32.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.48 -43.61 65.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 81.2 mt -59.02 -58.94 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 78.8 t -48.78 -53.56 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -55.39 -57.87 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.7 mt -50.24 -59.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.546 ' HE1' ' CD2' ' A' ' 891' ' ' TYR . 2.5 mmt -53.05 -43.22 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 3.1 ttmp? -53.49 -59.7 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 84.4 mmm -55.51 -41.88 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.2 mmm180 -95.24 97.93 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 31.4 mmtm -34.49 -51.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 98.8 m -133.14 133.16 42.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 850' ' ' LEU . 9.5 tp -141.23 146.09 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 848' ' ' HIS . 70.4 m -94.08 147.67 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 847' ' ' SER . 26.7 t60 -34.88 -55.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.17 -51.48 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.449 ' CB ' ' HG ' ' A' ' 846' ' ' LEU . 3.7 mm? -61.43 -34.5 75.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.51 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.408 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 35.5 m -47.51 -38.19 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.5 t -61.94 -57.2 12.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.11 -56.51 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.92 -57.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 18.1 m-85 -50.49 -38.96 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -62.83 -35.98 81.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -79.71 -30.08 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.94 118.55 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 15.25 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -133.28 150.19 74.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 140.46 42.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 75.7 t -120.81 122.13 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -48.02 153.13 1.24 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.549 0.69 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.81 18.01 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.677 2.251 . . . . 0.0 112.399 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.84 70.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.35 -47.88 66.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.95 -62.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -52.34 -50.62 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -52.31 -48.28 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . 0.459 ' HG3' ' CG2' ' A' ' 832' ' ' ILE . 10.2 mmp_? -56.79 -42.15 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.02 -64.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -48.8 -60.48 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 877' ' ' ASP . 16.3 p -42.03 -66.74 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 42.8 mt -38.99 -51.57 1.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 881' ' ' MET . 78.8 mt -53.39 -37.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 874' ' ' SER . 38.6 t70 -77.28 -17.5 58.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . 0.505 ' HB3' ' CE2' ' A' ' 880' ' ' TYR . 1.0 OUTLIER -84.56 26.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 39.0 t70 56.29 31.95 19.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 878' ' ' ARG . 17.7 m-85 -100.97 -37.11 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.49 ' O ' ' CG2' ' A' ' 876' ' ' ILE . 73.6 mmm -146.76 142.74 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.39 139.86 49.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -77.28 137.08 38.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -81.17 147.69 29.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -72.1 -40.56 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.4 pt-20 -48.55 -38.4 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 8.6 m120 -162.28 136.66 5.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -4.26 13.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.57 25.29 8.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -130.83 123.74 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.546 ' CD2' ' HE1' ' A' ' 840' ' ' MET . 22.6 m-85 -113.29 131.02 56.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -104.18 151.19 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 61.0 t80 -84.18 130.51 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.41 -36.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.436 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . -43.94 108.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 60.8 m -91.96 30.77 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -68.64 149.61 49.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 135.94 31.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 57.8 p -105.31 147.75 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 3.1 m -40.64 -54.99 2.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.3 t -88.79 140.02 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.816 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 16.8 t -138.77 159.5 41.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 45.2 -140.76 4.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 3.7 m 50.21 42.05 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 30.0 t -98.91 -44.3 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 177.05 107.98 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.7 pt -66.21 146.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.74 0.305 . . . . 0.0 111.113 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -80.47 106.49 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -127.38 106.2 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -98.54 89.23 4.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -102.27 145.96 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.2 t -115.65 146.22 42.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.86 132.77 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -105.84 171.28 7.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 817' ' ' GLN . 9.6 pt-20 -99.46 -41.72 7.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 816' ' ' GLU . 24.3 mt-30 -127.89 163.83 23.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -165.91 155.38 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.046 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 44.6 t -99.36 84.87 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 31.4 m -125.02 124.91 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 85.7 m -105.78 145.38 31.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -66.22 -45.48 80.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -44.3 -47.97 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.31 -22.75 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -69.7 -56.84 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.437 ' HG3' ' CE2' ' A' ' 830' ' ' TYR . 1.6 tp60 -53.12 -57.81 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.31 -45.64 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 831' ' ' GLN . 40.2 ttt180 -58.11 -69.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.2 pt20 -39.26 -35.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.458 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 10.0 m-85 -72.13 -42.29 66.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 828' ' ' ARG . 44.6 mt-30 -56.66 -45.24 81.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . 0.425 ' CG2' HD13 ' A' ' 836' ' ' ILE . 3.3 mp -70.45 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -49.8 -48.59 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.27 -52.54 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . 0.436 ' O ' ' CD1' ' A' ' 839' ' ' ILE . . . -54.46 -44.14 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 832' ' ' ILE . 73.3 mt -62.5 -56.02 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.08 -48.99 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -57.43 -46.76 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . 0.436 ' CD1' ' O ' ' A' ' 835' ' ' ALA . 19.4 mt -63.39 -56.81 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 3.3 mmm -54.31 -44.03 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' A' ' 893' ' ' TYR . 27.2 ttmt -54.34 -52.59 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.83 -48.87 79.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.7 mmm180 -90.88 99.13 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 17.4 mmtp -34.49 -44.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' THR . . . . . 0.423 HG22 ' NE2' ' A' ' 890' ' ' GLN . 58.6 m -140.65 128.11 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.7 tp -142.21 152.61 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 35.6 p -94.79 178.7 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -66.32 -49.33 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.27 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.44 -35.75 81.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 16.4 tp -60.46 -70.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.482 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 28.0 m -47.9 -38.44 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 15.8 t -55.97 -58.8 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -54.95 -47.44 74.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . 0.413 HG23 ' CD1' ' A' ' 839' ' ' ILE . 83.7 t -50.4 -57.7 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 32.9 m-85 -50.65 -45.54 57.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -57.12 -34.28 68.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -79.76 -35.85 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 21.5 mt -89.25 126.44 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -63.69 -25.15 68.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.45 151.75 47.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.25 19.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.76 140.13 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -67.24 160.59 70.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.689 . . . . 0.0 110.944 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -52.28 -58.94 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 868' ' ' LEU . 24.2 m-20 -60.05 -61.55 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 867' ' ' ASP . 31.5 tp -35.27 -58.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -49.21 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -55.45 -42.88 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -61.49 -52.08 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.26 -59.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.31 -49.73 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 15.2 m -50.22 -57.35 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 37.9 mt -52.41 -47.0 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 891' ' ' TYR . 95.9 mt -53.67 -39.05 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.78 -14.76 50.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -84.85 27.36 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.32 50.62 14.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -128.98 -37.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 95.5 mmm -138.18 156.31 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.9 pt-20 -129.45 142.5 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -75.93 113.54 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -47.37 118.57 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.45 -35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.36 -46.71 87.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -159.21 143.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.82 10.8 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -78.55 -38.27 40.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . 0.423 ' NE2' HG22 ' A' ' 845' ' ' THR . 15.9 tt0 -90.18 134.02 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.533 ' CE1' HD13 ' A' ' 876' ' ' ILE . 27.6 m-85 -117.08 143.16 46.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 32.9 m-80 -113.86 150.71 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 841' ' ' LYS . 53.6 t80 -76.33 124.21 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 22.3 pt -121.08 -39.82 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . -39.86 152.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 1.9 m -116.79 89.08 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -108.44 -102.37 2.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 85.69 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.756 2.304 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 69.2 p -57.26 115.54 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 4.5 m -83.1 -45.58 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 8.8 t -171.3 144.91 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 89.8 p -165.8 155.5 12.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 167.32 -178.82 41.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 29.1 m -147.58 172.57 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 32.3 t -147.56 152.91 38.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -128.7 142.59 13.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 49.2 mt -128.31 95.75 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -114.85 120.96 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 39.9 mmm -138.66 108.48 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 143.08 34.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -141.58 159.59 41.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 81.0 p -107.11 153.03 23.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 35.0 m -114.53 150.26 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -88.75 145.15 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.99 120.71 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -157.68 150.87 23.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -55.15 -50.47 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 2.9 m -116.85 98.13 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 62.7 p -60.18 -51.32 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 28.2 p -127.48 168.51 14.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -92.77 -46.55 7.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -48.82 -47.94 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 7.7 p -45.68 -42.68 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -47.0 -59.97 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 828' ' ' ARG . 13.4 mm-40 -65.65 -49.51 68.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 826' ' ' GLN . 0.7 OUTLIER -34.44 -33.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 826' ' ' GLN . 49.6 mtm-85 -66.12 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.4 pt20 -39.68 -34.17 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -70.27 -44.58 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 828' ' ' ARG . 64.6 mm-40 -59.34 -33.78 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' A' ' 828' ' ' ARG . 3.8 mp -70.56 -58.21 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 834' ' ' ALA . 0.1 OUTLIER -58.19 -44.81 88.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.0 -49.96 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.2 -44.73 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.7 -60.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.38 -39.18 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -62.95 -45.33 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 855' ' ' VAL . 19.3 mt -65.77 -48.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 3.4 mmt -58.86 -48.33 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -51.89 -57.4 9.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.54 -36.27 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 844' ' ' LYS . 24.6 mmt180 -108.59 90.69 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 843' ' ' ARG . 7.4 mptt -34.68 -58.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 16.6 m -118.49 125.18 49.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 5.5 tp -145.58 151.21 37.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 90.3 p -93.79 165.18 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . 0.472 ' CD2' HG11 ' A' ' 852' ' ' VAL . 4.0 t60 -54.08 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -44.69 -53.78 6.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.97 -36.66 82.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.78 -71.93 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.472 HG11 ' CD2' ' A' ' 848' ' ' HIS . 33.0 m -40.66 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.3 t -54.82 -57.24 12.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -52.91 -45.78 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 839' ' ' ILE . 53.6 t -51.31 -53.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -54.41 -43.79 71.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -60.8 -30.16 69.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -81.91 -38.88 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.6 mt -91.2 132.75 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -74.26 -26.51 60.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -106.06 149.12 37.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 153.65 68.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 864' ' ' LYS . 70.6 t -113.59 155.4 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . 0.408 ' N ' ' CG1' ' A' ' 863' ' ' VAL . 0.4 OUTLIER -75.8 154.58 85.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.754 2.303 . . . . 0.0 112.33 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.36 -62.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -51.89 -43.37 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 0.463 HD21 ' CG1' ' A' ' 852' ' ' VAL . 14.3 tp -52.37 -47.19 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.71 -63.14 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -48.81 -43.08 37.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -55.08 -59.45 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.49 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -44.84 -62.42 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 64.9 m -41.61 -57.5 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.15 -44.33 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 891' ' ' TYR . 86.6 mt -57.72 -35.9 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -84.52 -13.08 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 11.8 mtp180 -84.55 34.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.22 46.98 25.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.5 m-85 -124.73 -36.22 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 89.4 mmm -142.04 165.01 28.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.8 pt-20 -134.44 138.61 44.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -75.95 111.48 11.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 885' ' ' LYS . 33.8 t0 -43.17 117.34 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 884' ' ' ASP . 56.4 mttt -35.86 -42.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.48 -60.24 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -146.5 144.42 20.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.586 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.2 Cg_endo -69.69 -9.96 27.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -67.83 -37.88 82.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -95.43 113.94 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.586 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 24.1 m-85 -101.05 150.51 22.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.5 m-80 -121.48 153.15 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 895' ' ' ALA . 64.5 t80 -79.51 136.65 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.5 pt -128.92 -39.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.401 ' O ' ' CE2' ' A' ' 893' ' ' TYR . . . -41.97 151.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 73.0 m -123.77 135.48 53.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -155.33 -174.65 25.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 152.92 69.85 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 4.4 m -67.84 106.74 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 44.2 p -108.53 89.56 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 69.8 m -155.48 149.49 25.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 5.4 t -149.65 173.54 13.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 163.1 123.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 37.1 m -152.11 172.59 16.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 79.5 p -144.84 148.78 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -145.76 101.12 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.01 113.58 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 0.0 111.171 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -94.46 136.56 34.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -74.19 177.09 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -165.43 133.86 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.32 148.57 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 85.0 m -115.85 148.16 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.23 150.51 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -121.97 173.42 7.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -163.37 142.88 8.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -89.66 116.39 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -43.23 122.58 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 38.0 m -135.33 127.5 29.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 91.3 m -75.13 124.26 26.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 822' ' ' GLU . 35.7 m -155.28 135.86 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 821' ' ' THR . 4.3 tp10 -34.66 -52.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -45.02 -49.5 11.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 90.9 t -52.36 -46.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -38.62 -50.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.46 ' O ' ' CD2' ' A' ' 830' ' ' TYR . 39.7 mt-30 -65.55 -40.64 93.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.947 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.9 -43.76 77.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -63.39 -71.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.7 pt20 -39.19 -45.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 826' ' ' GLN . 11.1 m-85 -61.37 -44.11 97.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -54.54 -44.82 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.0 mp -62.07 -62.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.92 -58.96 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -40.32 -56.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.44 72.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.06 -69.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 97.4 t -42.32 -38.73 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -62.13 -52.59 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 855' ' ' VAL . 17.8 mt -58.18 -55.84 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 841' ' ' LYS . 5.6 mtt -56.15 -64.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 840' ' ' MET . 17.5 ttpp -34.58 -52.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.63 -43.76 97.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 840' ' ' MET . 9.8 mmm180 -96.69 97.85 9.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 843' ' ' ARG . 48.8 mmtt -35.05 -43.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.4 m -138.49 130.67 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.9 tp -146.54 154.33 41.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 96.1 p -94.48 169.98 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . 0.404 ' CD2' HG12 ' A' ' 852' ' ' VAL . 40.6 t60 -61.91 -50.77 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -49.37 -56.67 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.4 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.404 HG12 ' CD2' ' A' ' 848' ' ' HIS . 32.8 m -51.47 -44.16 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 4.9 t -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . 0.404 ' CB ' HD11 ' A' ' 839' ' ' ILE . 14.4 mm-40 -47.41 -52.64 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 839' ' ' ILE . 69.7 t -49.71 -55.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -48.44 -46.2 37.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.48 -32.26 72.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -76.44 -39.88 52.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.86 131.51 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -110.68 147.45 36.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.43 62.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 93.8 t -118.12 130.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -58.89 156.52 24.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -38.22 7.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.35 -59.48 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -61.37 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 21.8 tp -41.53 -55.34 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.63 -47.06 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -58.91 -53.28 60.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.92 -62.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -40.28 -56.26 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 27.0 t -49.49 -51.74 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.0 mt -53.45 -46.33 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 64.7 mt -55.85 -38.48 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.76 -14.07 52.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -83.94 16.08 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 22.4 t0 64.46 51.17 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -127.43 -30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.44 ' HG3' ' CE ' ' A' ' 840' ' ' MET . 88.0 mmm -147.36 147.93 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.7 pt-20 -119.6 137.06 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -75.85 122.27 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -54.39 117.14 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 886' ' ' GLU . 2.1 pttp -42.75 -26.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 885' ' ' LYS . 5.6 mt-10 -69.49 -52.85 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -156.13 144.19 14.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -1.31 8.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -78.99 -27.44 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -103.27 132.26 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.6 141.11 49.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 12.3 m-80 -110.76 153.88 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.475 ' CZ ' ' HB1' ' A' ' 895' ' ' ALA . 31.3 t80 -84.68 127.15 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.0 pt -120.94 -34.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' ' 893' ' ' TYR . . . -40.35 135.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 26.6 t -112.17 130.89 55.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -157.39 173.89 34.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 85.78 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 5.3 t -105.59 128.56 53.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 17.6 m -39.09 -56.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.447 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 3.9 m -124.58 -60.05 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 3.4 m -112.88 114.38 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -165.1 95.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 12.5 m -111.84 134.23 53.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 58.5 m -140.56 167.38 22.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.47 101.68 1.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 42.5 mm -75.22 111.95 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.316 . . . . 0.0 111.109 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -154.02 108.24 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 3.7 mmt -122.64 162.15 22.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -117.7 106.51 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -131.03 93.02 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 814' ' ' VAL . 40.5 m -146.9 140.65 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . 0.442 ' N ' HG21 ' A' ' 813' ' ' THR . 27.9 m -85.43 40.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -89.82 116.17 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -64.55 160.45 19.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -114.4 -58.79 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -146.17 175.42 10.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 37.4 p -49.53 -179.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 67.9 p -49.65 123.9 8.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 19.1 p -121.87 131.22 53.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -128.07 -50.51 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -45.9 -42.21 12.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.59 -42.29 95.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -44.18 -57.51 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 828' ' ' ARG . 2.3 mp0 -53.05 -50.53 64.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 826' ' ' GLN . 35.7 t70 -34.57 -35.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 831' ' ' GLN . 37.3 mtt85 -68.51 -70.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.3 pt20 -38.04 -30.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.3 m-85 -78.18 -42.47 31.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 828' ' ' ARG . 21.4 mm100 -55.65 -43.73 76.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 4.0 mp -73.13 -55.58 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -51.69 -41.79 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.04 -51.37 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.27 68.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.28 -69.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 59.7 t -37.64 -45.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -60.01 -48.12 83.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 21.7 mt -62.72 -49.61 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 2.9 mmt -47.78 -53.0 16.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 841' ' ' LYS . 0.6 OUTLIER -48.85 -51.65 28.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 52.2 mtt -62.19 -47.68 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.1 mmm180 -101.34 85.67 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.3 mptm? -34.3 -64.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 36.4 m -115.05 119.42 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.0 tp -137.57 154.08 49.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.5 m -92.19 157.65 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -47.67 -60.51 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -44.6 -53.09 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.09 -34.07 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.38 -69.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . . . . . . . . . 27.2 m -46.57 -39.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 25.0 t -57.76 -50.42 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -57.27 -57.93 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -42.51 -55.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -53.81 -41.97 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.77 -37.08 70.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -79.15 -36.7 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.0 mt -92.66 117.91 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -84.86 25.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . 0.566 ' CE2' HG23 ' A' ' 863' ' ' VAL . 11.7 p90 -136.57 151.72 73.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 134.01 27.05 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . 0.566 HG23 ' CE2' ' A' ' 861' ' ' PHE . 94.6 t -126.29 112.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -43.87 154.56 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -34.68 14.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.64 92.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.37 -50.7 62.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 28.1 tp -55.92 -53.91 51.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -53.17 -53.61 48.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -55.7 -47.95 75.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 14.8 mmp_? -53.85 -49.06 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.13 -57.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.42 -58.85 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 874' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 877' ' ' ASP . 7.1 m -43.53 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 85.5 mt -38.97 -51.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.441 HD12 ' CE1' ' A' ' 891' ' ' TYR . 81.6 mt -51.92 -41.37 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 874' ' ' SER . 15.0 t0 -75.64 -15.56 60.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 33.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 49.3 35.09 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -110.68 -38.82 5.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' MET . . . . . . . . . . . . . 87.8 mmm -138.82 157.61 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -132.71 144.12 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -77.02 112.6 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -44.62 132.08 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -53.67 -38.17 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.51 -53.62 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . 0.428 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.0 t-20 -148.79 139.84 13.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.0 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -81.72 -19.79 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 891' ' ' TYR . 1.7 tp-100 -97.27 144.27 27.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.441 ' CE1' HD12 ' A' ' 876' ' ' ILE . 29.4 m-85 -123.37 136.7 54.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -112.72 153.52 27.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -84.26 115.51 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 10.1 pt -108.32 -12.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . -82.61 166.99 18.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 90.1 p -139.03 163.69 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -125.03 83.87 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 85.63 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 98.9 p -105.42 127.94 53.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 75.0 m 60.52 43.31 13.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 88.1 p -115.2 111.14 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.7 t -127.81 147.06 50.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -179.81 72.28 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 57.7 p -53.3 152.13 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 87.5 p -130.16 -44.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 110.44 -125.39 7.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 50.5 mm -117.83 127.0 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -107.25 -46.9 3.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 6.0 mmt -72.22 125.02 26.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -109.37 169.53 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -110.61 76.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 6.1 p -108.49 -5.17 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.33 171.72 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -122.44 -44.43 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -90.05 -59.46 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -147.27 164.96 31.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -73.58 -63.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 3.4 m -154.61 161.74 41.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.7 p -110.82 110.47 21.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 822' ' ' GLU . 24.6 m -162.13 139.91 8.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 821' ' ' THR . 7.2 mm-40 -38.04 -54.47 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -41.01 -50.86 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 92.0 t -46.2 -45.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -45.84 -52.48 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' GLN . . . . . 0.426 ' O ' ' CD2' ' A' ' 830' ' ' TYR . 10.2 mp0 -58.77 -50.82 72.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -48.12 -49.18 32.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' ARG . . . . . 0.537 ' NH1' ' CD2' ' A' ' 861' ' ' PHE . 19.3 mmt180 -57.4 -73.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -38.84 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 826' ' ' GLN . 13.4 m-85 -77.23 -42.2 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 11.2 mm100 -56.95 -39.67 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' ILE . . . . . . . . . . . . . 3.9 mp -75.85 -58.96 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -53.59 -31.98 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -72.25 -55.02 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.53 -44.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 86.8 mt -60.85 -61.99 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.23 -38.88 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -66.47 -37.32 84.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 29.9 mt -75.43 -60.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.45 ' CE ' ' HG3' ' A' ' 881' ' ' MET . 7.8 mtt -48.26 -54.55 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -40.01 -60.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.3 mtt -58.05 -41.64 83.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.2 mmt-85 -98.78 95.98 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 893' ' ' TYR . 7.8 mptt -34.57 -55.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' THR . . . . . 0.444 HG23 ' NE2' ' A' ' 890' ' ' GLN . 87.1 m -123.67 132.09 53.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -144.84 148.43 33.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 3.9 m -95.56 160.34 14.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -49.0 -48.38 43.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -55.16 -68.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 850' ' ' LEU . 4.5 mm? -44.49 -31.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 49.1 tp -72.11 -65.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' VAL . . . . . 0.57 HG23 ' CE2' ' A' ' 856' ' ' TYR . 0.4 OUTLIER -37.91 -37.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.456 ' N ' HG12 ' A' ' 852' ' ' VAL . 47.7 t -70.65 -60.71 2.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -47.96 -46.99 32.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 23.5 t -57.76 -64.16 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' TYR . . . . . 0.57 ' CE2' HG23 ' A' ' 852' ' ' VAL . 9.3 m-85 -42.84 -37.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -66.89 -40.5 87.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -73.15 -29.4 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.545 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.1 mt -101.78 120.96 41.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -84.48 23.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 861' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 859' ' ' LEU . 16.1 p90 -141.32 148.47 51.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.748 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.32 42.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 65.5 t -128.03 130.01 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -60.85 154.18 60.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -34.31 14.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.16 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -63.79 -53.85 44.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.9 tp -52.2 -61.51 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -48.34 -50.62 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -54.55 -44.8 73.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -61.04 -46.5 90.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.33 -63.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -47.24 -55.54 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 m -49.38 -54.37 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 47.1 mt -51.08 -50.16 59.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 876' ' ' ILE . . . . . 0.445 HD13 ' CE1' ' A' ' 891' ' ' TYR . 84.1 mt -50.88 -43.17 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.84 -15.24 59.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -81.98 16.04 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 64.68 51.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.15 -36.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' MET . . . . . 0.45 ' HG3' ' CE ' ' A' ' 840' ' ' MET . 80.4 mmm -142.22 145.83 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' GLU . . . . . 0.429 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 6.7 pt-20 -114.53 142.2 46.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -77.63 116.4 18.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -50.74 119.9 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -41.78 -32.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.72 -46.94 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -162.29 144.01 8.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.672 0.748 . . . . 0.0 110.821 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 888' ' ' PRO . . . . . 0.563 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.3 Cg_endo -69.75 -12.54 33.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 890' ' ' GLN . . . . . 0.444 ' NE2' HG23 ' A' ' 845' ' ' THR . 8.2 tt0 -100.73 117.72 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 891' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 11.0 m-85 -105.23 140.39 38.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 892' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 67.9 m-20 -108.79 149.52 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 893' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 844' ' ' LYS . 38.9 t80 -78.14 125.29 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.88 -29.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . -58.5 -179.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 84.6 p -118.09 133.05 56.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 897' ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' ' 898' ' ' PRO . . . -44.96 -63.05 2.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 898' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 897' ' ' GLY . 53.3 Cg_endo -69.8 -164.97 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 4.0 m 51.93 48.18 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 9.2 t -112.37 124.8 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.515 ' O ' HD12 ' A' ' 832' ' ' ILE . 16.0 ttm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -40.84 -39.38 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -69.28 -47.11 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -52.3 -41.16 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.542 HG21 ' HG3' ' A' ' 871' ' ' ARG . 4.1 mp -73.42 -71.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.435 ' OD1' HD21 ' A' ' 875' ' ' LEU . 19.4 t0 -41.27 -37.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.38 -49.47 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -60.15 -33.87 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 851' ' ' LEU . 45.5 mt -69.99 -54.48 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 75.2 t -55.95 -41.22 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.078 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.02 -45.78 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 835' ' ' ALA . 24.2 mt -66.6 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.422 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.4 mmm -48.02 -52.25 20.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 32.2 ttpt -48.45 -61.44 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 64.6 mmm -51.98 -36.65 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.1 mmt180 -101.05 93.63 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.7 mmmp? -34.35 -45.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 30.5 m -140.98 117.68 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -130.41 153.01 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 8.0 m -95.7 177.46 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -61.73 -55.02 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -53.75 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 850' ' ' LEU . 3.8 mm? -58.75 -33.84 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 872' ' ' ILE . 12.0 tp -70.63 -69.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 28.3 m -44.27 -37.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 39.4 t -65.38 -55.69 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.21 -54.0 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 39.8 t -47.59 -54.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 13.6 m-85 -51.64 -44.66 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.79 -32.97 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -80.16 -24.11 40.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 861' ' ' PHE . 8.6 mt -105.62 117.71 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -80.71 12.13 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 861' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 859' ' ' LEU . 11.1 p90 -131.2 145.98 60.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.99 22.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 97.4 t -110.66 147.37 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -75.11 155.32 86.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.81 13.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.284 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.17 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.35 -53.26 25.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 29.4 tp -50.24 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.05 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -51.98 -47.12 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.542 ' HG3' HG21 ' A' ' 832' ' ' ILE . 14.0 mmp_? -55.29 -48.39 74.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 872' ' ' ILE . . . . . 0.48 HG12 HD21 ' A' ' 851' ' ' LEU . 52.1 mt -57.94 -69.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 873' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 872' ' ' ILE . 52.0 mt-10 -36.98 -60.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 47.2 m -46.21 -64.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.435 HD21 ' OD1' ' A' ' 833' ' ' ASP . 75.0 mt -41.98 -49.94 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 881' ' ' MET . 30.8 mt -52.53 -44.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -79.23 -12.7 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -86.92 26.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.98 48.18 18.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -125.84 -37.03 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.654 ' O ' HG23 ' A' ' 876' ' ' ILE . 93.6 mmm -142.23 149.07 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.21 144.6 50.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.75 128.23 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -61.29 122.97 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -38.75 -38.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.27 -65.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.73 144.0 23.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.672 0.748 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.45 4.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -78.38 -20.95 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -107.44 132.57 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -120.75 133.92 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -104.57 157.73 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.761 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 73.6 t80 -86.42 135.41 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.8 pt -129.93 -33.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.761 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 832' ' ' ILE . 12.0 tpp180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.72 0.295 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.1 pt20 -47.08 -30.32 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.466 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.6 m-85 -76.06 -35.18 59.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.59 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.1 mp -70.82 -56.63 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 837' ' ' VAL . 15.3 m-20 -53.02 -38.67 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.46 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.76 58.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.815 HG23 HD11 ' A' ' 851' ' ' LEU . 67.6 mt -61.34 -62.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 833' ' ' ASP . 84.3 t -44.07 -39.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -69.34 -53.46 19.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.814 HD13 ' HB2' ' A' ' 854' ' ' GLU . 40.1 mt -55.28 -52.69 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.443 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.1 mmm -58.85 -50.02 75.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 31.1 ttpt -48.26 -57.44 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 13.4 mmt -54.07 -48.23 70.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.8 mmm180 -90.57 99.11 12.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 27.7 mmtp -34.38 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 63.1 m -141.54 136.16 30.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 846' ' ' LEU . . . . . 0.501 HD11 HD13 ' A' ' 850' ' ' LEU . 7.4 tp -148.57 164.58 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 31.9 m -109.35 178.59 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -63.55 -53.02 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -42.32 -63.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 846' ' ' LEU . 12.0 mt -63.93 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.815 HD11 HG23 ' A' ' 836' ' ' ILE . 12.0 tp -41.24 -66.58 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.55 ' CG1' HD21 ' A' ' 868' ' ' LEU . 28.1 m -60.1 -34.64 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 8.4 t -55.87 -57.4 12.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 854' ' ' GLU . . . . . 0.814 ' HB2' HD13 ' A' ' 839' ' ' ILE . 6.1 mm-40 -57.98 -50.18 74.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 855' ' ' VAL . . . . . 0.434 HG21 HG12 ' A' ' 836' ' ' ILE . 55.3 t -44.68 -53.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.747 ' OH ' HD22 ' A' ' 868' ' ' LEU . 43.7 m-85 -57.85 -47.87 81.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -54.61 -28.97 50.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -83.5 -41.29 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 832' ' ' ILE . 14.6 mt -83.81 130.93 34.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -22.12 62.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 861' ' ' PHE . . . . . 0.415 ' CE1' ' HD2' ' A' ' 828' ' ' ARG . 8.2 p90 -114.62 149.93 43.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.18 67.91 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.83 140.47 35.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -64.47 158.02 68.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -40.75 4.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.8 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 867' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 868' ' ' LEU . 42.3 m-20 -58.23 -62.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.747 HD22 ' OH ' ' A' ' 856' ' ' TYR . 24.6 tp -34.45 -56.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -55.18 -48.52 73.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 870' ' ' LYS . . . . . 0.421 ' HB3' ' NH2' ' A' ' 871' ' ' ARG . 71.8 mttt -55.53 -68.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.437 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -36.72 -48.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 872' ' ' ILE . . . . . 0.694 HG12 HD21 ' A' ' 851' ' ' LEU . 63.2 mt -53.93 -68.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.29 -59.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 43.8 m -42.49 -60.32 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 59.1 mt -46.39 -44.56 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 881' ' ' MET . 80.6 mt -60.07 -33.1 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.47 -11.34 49.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -86.81 27.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 55.13 37.09 28.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -114.9 -36.8 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 876' ' ' ILE . 91.8 mmm -142.21 148.7 38.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 11.3 pt-20 -118.34 148.84 42.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -87.61 127.16 35.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.48 118.78 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 885' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 885' ' ' LYS . 0.0 OUTLIER -42.11 -32.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.03 -50.26 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.434 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 2.6 t-20 -154.51 141.23 13.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.8 -12.36 32.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.21 -39.27 86.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.41 130.98 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 22.5 m-85 -118.87 144.99 46.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.448 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 24.1 m-80 -110.99 161.8 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 30.9 t80 -90.07 129.86 36.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 881' ' ' MET . 2.2 pt -120.69 -35.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 832' ' ' ILE . 17.0 mtm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.735 0.302 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -39.63 -33.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.493 ' O ' ' CB ' ' A' ' 834' ' ' ALA . 38.0 m-85 -75.22 -40.82 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 828' ' ' ARG . 7.8 mm100 -59.73 -47.43 85.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.694 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.3 mp -67.24 -60.43 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.496 ' OD2' HD21 ' A' ' 875' ' ' LEU . 5.7 t0 -54.18 -41.81 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 834' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -58.16 -55.73 31.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.54 -48.32 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.697 HG23 HD11 ' A' ' 851' ' ' LEU . 70.8 mt -55.67 -65.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 38.9 t -42.59 -48.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -59.89 -46.65 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.406 HG21 ' CB ' ' A' ' 854' ' ' GLU . 18.3 mt -62.79 -64.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.474 ' HE1' ' HG3' ' A' ' 881' ' ' MET . 8.0 mtt -49.48 -59.62 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.41 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 63.0 tttt -37.5 -46.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 2.6 mmt -70.81 -40.02 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 840' ' ' MET . 28.4 mmt180 -95.15 95.31 8.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 843' ' ' ARG . 28.7 mmtm -35.77 -43.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 845' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 891' ' ' TYR . 90.3 m -137.95 132.32 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 846' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 851' ' ' LEU . 7.9 tp -146.97 148.34 31.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.2 m -94.53 174.75 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 848' ' ' HIS . . . . . 0.48 ' O ' HG22 ' A' ' 852' ' ' VAL . 25.1 t60 -59.12 -60.49 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -48.11 -54.32 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -35.47 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 836' ' ' ILE . 44.3 tp -64.66 -69.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 848' ' ' HIS . 32.8 m -49.89 -32.08 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 40.1 t -63.9 -51.54 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 854' ' ' GLU . . . . . 0.406 ' CB ' HG21 ' A' ' 839' ' ' ILE . 21.9 mm-40 -56.47 -46.74 80.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 84.7 t -55.65 -58.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.54 -40.24 90.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -71.63 -40.27 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 832' ' ' ILE . 12.3 mt -93.15 116.83 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -84.48 19.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 861' ' ' PHE . . . . . 0.601 ' CE2' HG22 ' A' ' 863' ' ' VAL . 18.1 p90 -129.61 151.0 77.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.01 22.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.601 HG22 ' CE2' ' A' ' 861' ' ' PHE . 73.8 t -120.23 110.16 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -38.34 152.81 0.16 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -34.25 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.43 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -65.09 -54.21 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.39 -62.14 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -50.27 -52.66 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -52.29 -46.97 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.51 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.2 mmp_? -51.72 -52.19 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 78.6 mt -53.07 -58.8 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -47.04 -57.74 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 11.1 m -46.11 -61.74 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.496 HD21 ' OD2' ' A' ' 833' ' ' ASP . 29.3 mt -43.25 -50.9 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.01 -40.08 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.77 -15.92 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -84.76 16.91 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.71 50.36 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 880' ' ' TYR . . . . . 0.435 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 39.0 m-85 -122.94 -25.48 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.575 ' N ' HD11 ' A' ' 894' ' ' ILE . 71.8 mmm -149.13 161.87 41.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.3 pt-20 -133.82 139.96 46.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -76.52 119.41 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -51.33 127.32 19.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -49.61 -29.87 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.12 -68.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -133.64 143.35 47.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 1.12 4.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -88.64 -25.13 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -96.36 133.53 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 845' ' ' THR . 11.4 m-85 -122.42 147.6 46.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.431 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.4 m-80 -117.05 160.14 21.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 31.9 t80 -88.03 138.16 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.575 HD11 ' N ' ' A' ' 881' ' ' MET . 3.1 pt -129.88 -42.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 831' ' ' GLN . 7.2 ttm105 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.733 0.301 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -38.58 -32.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.4 m-85 -75.88 -42.63 48.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.496 ' HB3' HD22 ' A' ' 859' ' ' LEU . 9.4 mm-40 -55.2 -43.44 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.591 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.3 mp -73.09 -62.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -49.04 -40.14 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.02 68.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.56 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -61.07 -44.06 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 93.7 mt -57.67 -60.3 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 87.3 t -52.01 -53.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -55.06 -49.1 72.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.0 mt -66.15 -68.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.425 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.9 mmm -40.4 -44.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -55.77 -54.36 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.6 mmm -56.8 -42.41 79.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 844' ' ' LYS . 9.4 mmm180 -96.4 101.2 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 843' ' ' ARG . 23.5 mmtm -35.6 -44.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 845' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 891' ' ' TYR . 30.9 m -137.55 134.62 35.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.4 tp -145.76 148.15 32.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 59.2 p -99.69 -178.08 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -64.77 -53.34 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -51.76 -55.93 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.4 -38.72 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.567 HD21 HG12 ' A' ' 872' ' ' ILE . 35.2 tp -59.8 -67.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 868' ' ' LEU . 30.8 m -46.48 -42.19 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 852' ' ' VAL . 40.1 t -54.06 -58.69 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.42 -55.89 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 60.1 t -39.51 -59.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -55.08 -40.15 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.47 -37.65 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.67 -35.68 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 11.7 mt -93.2 116.44 29.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -84.7 22.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 861' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 863' ' ' VAL . 34.8 p90 -133.66 152.25 78.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.18 22.85 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.566 HG22 ' CE2' ' A' ' 861' ' ' PHE . 87.4 t -117.97 116.25 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -48.48 153.35 1.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.37 12.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.333 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.79 -60.89 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 867' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 868' ' ' LEU . 0.9 OUTLIER -54.35 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 852' ' ' VAL . 33.0 tp -35.13 -56.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -50.94 -50.42 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 870' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 871' ' ' ARG . 45.9 mttm -55.53 -66.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -37.2 -47.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 872' ' ' ILE . . . . . 0.567 HG12 HD21 ' A' ' 851' ' ' LEU . 58.7 mt -60.17 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -49.62 -59.77 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 4.1 m -43.7 -58.09 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -48.68 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 881' ' ' MET . 77.4 mt -54.62 -37.72 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.52 -14.12 57.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 878' ' ' ARG . . . . . 0.431 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 27.0 mtp85 -84.59 25.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.16 47.84 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 880' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 42.2 m-85 -124.46 -37.82 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.453 ' O ' HG23 ' A' ' 876' ' ' ILE . 90.5 mmm -137.59 158.46 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 4.9 pt-20 -127.38 141.11 51.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.74 118.66 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 884' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 885' ' ' LYS . 32.5 t0 -48.26 112.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 885' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 884' ' ' ASP . 30.6 mtpt -34.44 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.76 -61.37 2.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -141.99 143.76 29.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.79 -11.82 31.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -67.63 -36.42 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -96.39 127.33 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 845' ' ' THR . 13.7 m-85 -113.29 154.41 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 37.1 m-80 -123.05 155.88 36.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 36.2 t80 -82.12 129.21 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.24 -35.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.428 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.762 0.315 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -39.57 -41.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -67.22 -44.68 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -54.44 -45.07 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 832' ' ' ILE . 3.6 mp -69.9 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 833' ' ' ASP . 21.0 t0 -39.25 -41.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -65.4 -55.46 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -51.15 -40.42 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.666 HG23 HD11 ' A' ' 851' ' ' LEU . 55.0 mt -65.44 -57.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 31.6 t -55.55 -31.98 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -74.68 -32.19 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 835' ' ' ALA . 20.5 mt -79.0 -50.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.476 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.3 mmm -60.93 -46.22 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -51.69 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 8.6 mmt -53.4 -38.57 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.2 mmm180 -97.26 95.0 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.2 mmtm -34.32 -44.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 17.8 m -142.18 124.54 15.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.13 161.25 36.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 1.2 t -102.13 176.34 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.0 -60.88 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -50.08 -46.28 53.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.6 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.666 HD11 HG23 ' A' ' 836' ' ' ILE . 40.4 tp -69.46 -68.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 853' ' ' SER . 21.3 m -41.71 -43.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.503 ' N ' HG23 ' A' ' 852' ' ' VAL . 16.7 t -60.3 -54.11 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -54.51 -49.5 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.38 -49.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 21.5 m-85 -53.8 -42.6 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -67.66 -31.47 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -75.47 -28.94 59.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.19 124.63 45.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -63.08 -13.93 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -123.04 148.46 54.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 147.52 63.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 72.4 t -116.42 129.88 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -56.07 155.26 12.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.89 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -54.33 -61.49 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -53.94 -62.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.436 HD21 HG12 ' A' ' 852' ' ' VAL . 17.0 tp -41.31 -58.23 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -47.81 -50.86 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.23 -41.53 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.46 -47.69 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.99 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -43.82 -60.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 t -42.87 -59.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.57 -48.1 28.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 881' ' ' MET . 58.2 mt -54.68 -37.49 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.22 -13.37 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -88.33 32.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.85 48.61 22.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -124.5 -32.26 3.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 876' ' ' ILE . 82.6 mmm -150.25 146.75 26.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.98 144.86 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -78.78 132.18 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -67.57 114.75 6.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -40.39 -33.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.33 -66.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.6 t-20 -135.69 140.21 33.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.747 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.4 Cg_endo -69.81 -6.84 19.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.273 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -79.97 -12.72 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -108.66 140.65 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -133.28 139.04 46.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -109.12 155.69 20.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 68.9 t80 -82.81 135.02 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 881' ' ' MET . 4.8 pt -128.83 -41.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.423 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 831' ' ' GLN . 20.3 tpp85 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 7.0 pt20 -40.91 -31.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.44 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 34.6 m-85 -78.23 -37.7 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 15.6 mt-30 -60.39 -47.03 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.694 HD12 ' H ' ' A' ' 832' ' ' ILE . 3.9 mp -72.74 -54.48 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 875' ' ' LEU . 23.5 t0 -54.08 -36.19 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.25 -50.1 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.04 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.659 HG23 HD11 ' A' ' 851' ' ' LEU . 57.3 mt -62.41 -59.02 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.25 -37.51 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -64.02 -43.06 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' A' ' 854' ' ' GLU . 43.9 mt -70.35 -57.04 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.602 ' SD ' HG22 ' A' ' 836' ' ' ILE . 5.3 mtt -55.44 -59.52 4.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 840' ' ' MET . 41.9 tttm -36.53 -58.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.6 mtt -62.6 -38.29 89.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 844' ' ' LYS . 36.2 mmt180 -93.98 96.9 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 843' ' ' ARG . 61.1 mmtt -36.72 -47.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.2 m -138.55 123.46 18.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 846' ' ' LEU . . . . . 0.437 HD22 HG22 ' A' ' 839' ' ' ILE . 9.5 tp -135.57 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 71.5 m -93.15 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -66.49 -38.56 87.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.47 -48.16 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.2 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.659 HD11 HG23 ' A' ' 836' ' ' ILE . 66.3 tp -68.82 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 853' ' ' SER . 33.8 m -45.57 -45.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.51 ' N ' HG23 ' A' ' 852' ' ' VAL . 13.2 t -54.64 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 854' ' ' GLU . . . . . 0.452 ' HB2' HD13 ' A' ' 839' ' ' ILE . 44.8 mm-40 -55.09 -46.68 75.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -52.08 -55.32 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.82 -40.85 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.34 -30.89 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -82.93 -36.48 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 21.0 mt -89.09 127.49 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.59 150.38 45.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 159.44 53.43 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.383 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.86 142.23 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -69.12 154.35 95.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -36.92 9.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -52.84 52.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 25.3 tp -45.24 -56.3 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -57.22 -46.1 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -55.98 -46.31 78.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 71.5 mt -54.8 -67.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -39.59 -57.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 38.8 t -48.49 -58.58 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.47 HD21 ' OD2' ' A' ' 833' ' ' ASP . 58.5 mt -47.97 -45.0 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 881' ' ' MET . 30.0 mt -57.09 -38.93 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.18 -14.27 55.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -84.82 23.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.83 49.51 7.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -124.84 -37.17 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.772 ' O ' HG23 ' A' ' 876' ' ' ILE . 80.1 mmm -144.63 146.36 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 7.5 pt-20 -115.89 141.35 48.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -77.66 117.29 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.38 117.51 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -43.95 -36.12 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 11.5 pt-20 -58.64 -43.32 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 25.9 p30 -165.92 143.73 4.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -0.21 6.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.406 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.89 -22.26 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -103.81 136.33 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -126.22 136.6 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 46.7 m-80 -108.17 153.28 23.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 38.0 t80 -83.5 134.01 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 895' ' ' ALA . 5.1 pt -127.74 -40.14 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.527 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 829' ' ' GLN . 8.0 tmm_? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.8 pt20 -41.09 -32.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 15.3 m-85 -75.34 -49.12 20.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -52.03 -37.48 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 859' ' ' LEU . 3.2 mp -75.62 -65.79 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 837' ' ' VAL . 11.2 t0 -43.4 -40.73 3.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.45 -57.58 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.474 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -47.25 -36.66 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.525 HG23 HD11 ' A' ' 851' ' ' LEU . 51.1 mt -72.53 -65.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.59 HG22 HD22 ' A' ' 875' ' ' LEU . 97.2 t -46.06 -27.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -80.77 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 835' ' ' ALA . 23.7 mt -58.3 -49.24 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.479 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.6 mmm -57.91 -37.86 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 23.9 ttpp -62.68 -60.37 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 10.4 mmm -49.81 -35.61 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -101.56 102.26 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 844' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -39.76 -32.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 845' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 891' ' ' TYR . 38.7 m -151.99 131.2 12.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 846' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 851' ' ' LEU . 8.3 tp -143.48 159.17 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 24.9 m -108.84 178.73 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -59.03 -57.29 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -44.9 -63.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 850' ' ' LEU . 0.7 OUTLIER -59.21 -41.41 88.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.769 HD21 HG12 ' A' ' 872' ' ' ILE . 10.0 tp -51.45 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.551 HG12 HD21 ' A' ' 868' ' ' LEU . 23.4 m -52.71 -42.96 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 852' ' ' VAL . 6.7 t -50.42 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.58 -52.44 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 855' ' ' VAL . . . . . 0.428 HG21 HG12 ' A' ' 836' ' ' ILE . 36.9 t -48.0 -56.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -51.36 -45.78 62.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -56.87 -34.29 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -74.28 -32.38 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 859' ' ' LEU . 4.4 mt -97.18 120.38 37.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -2.09 36.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -118.37 149.34 45.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.78 48.78 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 864' ' ' LYS . 95.8 t -120.18 154.7 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 864' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 863' ' ' VAL . 4.4 mtpm? -79.14 150.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -41.35 4.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.85 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.28 -61.05 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.551 HD21 HG12 ' A' ' 852' ' ' VAL . 17.7 tp -39.31 -59.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -47.62 -54.71 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -51.64 -46.06 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -56.05 -47.24 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 872' ' ' ILE . . . . . 0.769 HG12 HD21 ' A' ' 851' ' ' LEU . 50.4 mt -54.91 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 873' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 874' ' ' SER . 7.2 mm-40 -44.91 -68.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 877' ' ' ASP . 2.5 t -38.46 -67.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.59 HD22 HG22 ' A' ' 837' ' ' VAL . 78.3 mt -39.92 -51.9 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.64 -31.2 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 877' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 874' ' ' SER . 2.3 m-20 -86.68 -7.27 58.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 878' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 878' ' ' ARG . 8.5 mmm180 -84.03 10.13 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 17.7 t70 74.44 25.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -104.68 -34.89 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 58.3 mmm -139.99 160.97 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -134.8 145.68 48.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -78.7 127.75 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 884' ' ' ASP . . . . . 0.54 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 38.3 t0 -56.27 114.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -40.83 -27.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.4 mt-10 -68.94 -57.07 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.426 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.1 t-20 -144.96 140.23 16.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 54.1 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -84.28 -3.83 58.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 890' ' ' GLN . . . . . 0.54 ' NE2' ' OD2' ' A' ' 884' ' ' ASP . 9.1 tt0 -117.31 150.79 38.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.463 ' O ' HG23 ' A' ' 845' ' ' THR . 20.0 m-85 -134.24 141.07 46.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -114.61 148.76 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 66.8 t80 -83.28 130.82 35.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 895' ' ' ALA . 2.9 pt -124.55 -38.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 831' ' ' GLN . 46.2 mtt85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.796 0.332 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.5 pt20 -38.3 -32.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 44.6 m-85 -77.41 -45.61 25.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 828' ' ' ARG . 16.8 mm-40 -57.94 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.53 HD12 ' N ' ' A' ' 832' ' ' ILE . 2.3 mp -73.45 -55.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 837' ' ' VAL . 5.8 t0 -52.37 -41.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -64.45 -59.27 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.547 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -44.96 -37.67 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.718 HG23 HD11 ' A' ' 851' ' ' LEU . 56.8 mt -70.29 -70.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 833' ' ' ASP . 60.8 t -42.12 -35.74 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -70.67 -55.67 8.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.6 mt -53.82 -44.52 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.434 ' SD ' ' HE2' ' A' ' 881' ' ' MET . 3.4 mmt -58.4 -48.63 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -49.63 -58.33 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 3.8 mmt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.1 mmm180 -108.67 92.8 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.6 mptp? -35.18 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 845' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 890' ' ' GLN . 90.7 m -102.79 122.66 44.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.83 160.51 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.6 m -100.82 172.84 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -61.44 -58.18 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.28 -44.59 61.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.16 -35.78 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.718 HD11 HG23 ' A' ' 836' ' ' ILE . 44.8 tp -66.81 -67.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.629 HG12 HD21 ' A' ' 868' ' ' LEU . 5.2 m -44.55 -39.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 852' ' ' VAL . 29.9 t -59.98 -57.22 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.03 -52.15 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 36.4 t -47.32 -55.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 20.3 m-85 -53.36 -44.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.27 -33.21 69.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -78.86 -35.95 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.7 139.37 32.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -84.8 -17.91 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -117.49 147.24 40.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 141.5 45.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 94.3 t -119.83 134.15 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -63.53 155.99 73.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.06 24.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.52 -66.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.16 -48.0 83.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.629 HD21 HG12 ' A' ' 852' ' ' VAL . 23.8 tp -49.48 -56.45 9.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -51.36 -56.88 10.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -48.28 -43.26 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.81 -49.75 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 62.9 mt -54.64 -67.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -41.07 -60.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 877' ' ' ASP . 4.2 t -44.99 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.41 HD21 ' OD2' ' A' ' 833' ' ' ASP . 38.9 mt -38.91 -48.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 881' ' ' MET . 69.8 mt -56.04 -37.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 877' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 874' ' ' SER . 1.8 t70 -81.84 -9.86 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 878' ' ' ARG . . . . . 0.453 ' HB2' ' CD2' ' A' ' 880' ' ' TYR . 11.6 mmm180 -82.64 19.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 62.39 29.11 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 880' ' ' TYR . . . . . 0.453 ' CD2' ' HB2' ' A' ' 878' ' ' ARG . 22.4 m-85 -108.26 -38.69 5.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.6 ' O ' HG23 ' A' ' 876' ' ' ILE . 96.9 mmm -135.48 146.23 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.78 139.51 51.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -76.07 117.48 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -51.77 130.0 27.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -52.13 -42.7 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 8.6 pt-20 -52.89 -43.14 65.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.48 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 32.0 m-80 -167.16 142.93 3.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.96 17.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -75.87 -19.32 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 890' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 845' ' ' THR . 14.4 tt0 -109.82 131.69 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -118.11 144.08 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -115.63 158.35 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.866 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 64.9 t80 -86.22 130.79 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.5 pt -124.26 -31.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.866 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.8 pt20 -41.86 -30.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.3 m-85 -76.56 -48.76 18.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -55.89 -37.64 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.536 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.0 mp -73.95 -56.07 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.88 -34.35 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.44 -54.08 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -39.99 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.703 HG23 HD11 ' A' ' 851' ' ' LEU . 48.8 mt -67.82 -56.58 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.35 -31.58 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -72.83 -53.79 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 854' ' ' GLU . 26.9 mt -58.98 -53.69 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 4.4 mmm -52.21 -59.04 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 64.8 tttt -42.89 -62.21 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.0 mmt -50.95 -38.27 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.8 mmm180 -99.58 94.96 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 30.5 mmtp -34.33 -44.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 845' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 891' ' ' TYR . 31.7 m -139.68 131.2 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.0 tp -146.38 157.93 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 77.7 p -105.13 -178.97 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -64.12 -63.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.94 -56.57 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.55 -44.01 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.703 HD11 HG23 ' A' ' 836' ' ' ILE . 14.4 tp -55.21 -71.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 853' ' ' SER . 12.2 m -45.14 -43.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.6 t -54.93 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 854' ' ' GLU . . . . . 0.508 ' HB2' HD13 ' A' ' 839' ' ' ILE . 35.8 mm-40 -48.93 -53.87 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 49.4 t -47.49 -53.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -51.85 -41.26 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -66.95 -30.15 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -76.66 -37.82 55.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.1 131.4 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -70.92 -20.26 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -112.19 146.44 34.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.52 48.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.23 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.5 t -117.93 134.58 61.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -61.78 153.53 71.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.14 21.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.25 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.72 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.67 -53.56 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 17.9 tp -52.33 -56.52 14.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.35 -56.81 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -52.06 -53.94 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.536 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.7 mmp_? -47.99 -50.9 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 872' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 851' ' ' LEU . 59.9 mt -53.32 -68.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.13 -52.91 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.446 ' C ' ' HD3' ' A' ' 878' ' ' ARG . 57.9 m -48.19 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 42.0 mt -41.12 -44.83 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 881' ' ' MET . 33.4 mt -58.36 -38.25 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 877' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 874' ' ' SER . 12.5 t0 -82.42 -16.71 48.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 878' ' ' ARG . . . . . 0.446 ' HD3' ' C ' ' A' ' 874' ' ' SER . 1.9 mpt_? -81.53 12.7 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 68.51 42.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -119.33 -29.91 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.576 ' O ' HG23 ' A' ' 876' ' ' ILE . 91.1 mmm -146.43 150.94 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.26 140.53 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 883' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 883' ' ' ARG . 24.9 mtm105 -77.25 146.99 36.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -82.84 123.97 29.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -46.17 -31.21 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.6 pt-20 -63.22 -45.11 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.477 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 70.5 m-20 -161.97 143.28 8.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.445 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.3 Cg_endo -69.8 -14.49 36.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.88 -20.77 61.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -101.94 143.1 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.518 ' O ' HG23 ' A' ' 845' ' ' THR . 13.8 m-85 -134.89 152.65 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.444 ' O ' ' HE3' ' A' ' 881' ' ' MET . 18.8 m-80 -120.19 165.08 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 53.6 t80 -92.26 121.23 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 895' ' ' ALA . 8.3 pt -115.92 -41.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.447 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.741 0.305 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 10.0 pt20 -44.23 -32.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.482 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 25.1 m-85 -77.78 -39.41 44.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -58.41 -49.67 76.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.619 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.3 mp -68.76 -53.08 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.455 ' OD2' HD21 ' A' ' 875' ' ' LEU . 12.8 t0 -55.48 -40.35 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.51 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.413 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -56.62 -39.21 73.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.583 HG23 HD11 ' A' ' 851' ' ' LEU . 75.1 mt -64.91 -67.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 92.3 t -40.42 -45.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -61.41 -47.14 87.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 835' ' ' ALA . 18.9 mt -63.95 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE3' ' HG3' ' A' ' 881' ' ' MET . 3.5 mmt -55.06 -49.77 70.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -49.88 -63.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.7 mtt -55.44 -40.56 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 63.5 mmt-85 -103.81 85.61 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -34.25 -66.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.2 m -109.05 126.74 53.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 846' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 850' ' ' LEU . 8.6 tp -146.06 153.78 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 72.6 m -101.21 147.59 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -38.46 -45.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -45.15 -65.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 846' ' ' LEU . 9.7 mp -62.5 -45.84 91.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.583 HD11 HG23 ' A' ' 836' ' ' ILE . 24.4 tp -40.31 -62.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 1.136 HG12 HD21 ' A' ' 868' ' ' LEU . 28.1 m -60.66 -43.13 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.9 m -50.21 -55.24 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -54.76 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 61.0 t -42.43 -53.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' ' 852' ' ' VAL . 35.7 m-85 -57.79 -41.64 82.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -62.6 -30.52 71.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -82.09 -39.31 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.41 130.16 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -71.13 -27.57 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -105.5 147.03 33.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.03 59.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.632 2.221 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.6 131.87 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.57 158.36 31.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -44.36 -62.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 867' ' ' ASP . . . . . 0.458 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 6.4 m-20 -54.41 -59.5 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 1.136 HD21 HG12 ' A' ' 852' ' ' VAL . 15.5 tp -41.55 -59.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -46.08 -51.44 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 870' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 51.6 mtmt -55.74 -44.76 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 5.7 mmp_? -59.84 -52.13 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 872' ' ' ILE . . . . . 0.439 HG12 HD21 ' A' ' 851' ' ' LEU . 56.8 mt -57.53 -64.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -47.34 -58.04 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 8.7 t -47.79 -58.21 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.455 HD21 ' OD2' ' A' ' 833' ' ' ASP . 47.3 mt -47.34 -51.56 19.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 881' ' ' MET . 65.8 mt -51.81 -40.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.57 -14.09 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 878' ' ' ARG . . . . . 0.465 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 51.0 mtt180 -84.64 29.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.2 t70 54.27 47.58 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 880' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 41.0 m-85 -124.62 -39.26 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.659 ' O ' HG23 ' A' ' 876' ' ' ILE . 94.7 mmm -138.91 154.25 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.1 pt-20 -126.86 137.14 53.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -75.97 115.82 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.89 123.42 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -45.54 -47.86 14.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 6.6 pt-20 -45.87 -37.56 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 9.1 m120 -173.43 142.06 0.95 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.725 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.6 3.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -82.32 -35.47 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.93 134.31 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -118.66 150.55 39.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.445 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 14.4 m-80 -120.57 153.65 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -84.67 115.64 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 895' ' ' ALA . 11.0 pt -109.25 -41.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 880' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 831' ' ' GLN . 44.2 mmm-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.796 0.331 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.6 pt20 -39.74 -38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.466 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 10.1 m-85 -67.61 -43.2 81.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 828' ' ' ARG . 45.2 mm-40 -57.08 -48.58 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.0 mp -70.82 -55.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 837' ' ' VAL . 26.2 t0 -55.01 -35.03 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.91 -53.68 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.85 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.98 HG23 HD11 ' A' ' 851' ' ' LEU . 72.6 mt -61.28 -57.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 833' ' ' ASP . 96.8 t -53.9 -48.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -53.31 -61.59 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.559 HD13 ' CB ' ' A' ' 854' ' ' GLU . 31.6 mt -52.69 -47.92 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.577 ' SD ' HG22 ' A' ' 836' ' ' ILE . 14.7 mtt -56.1 -61.98 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 6.2 ttpm? -39.32 -65.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 28.0 mmt -48.12 -38.41 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 49.4 mmt-85 -100.97 92.95 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.6 mmtm -34.33 -43.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 97.2 m -139.86 125.04 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 11.6 tp -137.91 155.27 49.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 37.1 p -93.83 171.56 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -64.63 -46.7 81.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -56.25 -55.44 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.16 -32.84 73.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.98 HD11 HG23 ' A' ' 836' ' ' ILE . 18.4 tp -66.08 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.437 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 17.2 m -48.18 -39.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.1 t -60.3 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 854' ' ' GLU . . . . . 0.559 ' CB ' HD13 ' A' ' 839' ' ' ILE . 42.1 mm-40 -47.07 -49.3 21.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.24 -56.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.592 ' OH ' HD22 ' A' ' 868' ' ' LEU . 28.7 m-85 -52.19 -41.7 62.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -62.16 -34.51 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -75.85 -37.58 58.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.95 139.92 29.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.39 -25.29 54.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -112.81 147.81 37.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.61 62.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.3 t -124.25 126.22 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -52.68 158.93 1.91 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.24 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -50.48 -59.45 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.83 -64.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.592 HD22 ' OH ' ' A' ' 856' ' ' TYR . 14.3 tp -38.2 -51.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -55.17 -47.26 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -54.64 -55.99 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -48.34 -44.72 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.69 -58.48 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -52.83 -55.96 19.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 16.9 m -46.01 -53.49 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.587 HD21 ' OD1' ' A' ' 833' ' ' ASP . 42.6 mt -52.34 -52.9 50.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 881' ' ' MET . 73.1 mt -51.4 -39.22 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -75.4 -20.98 58.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -83.14 12.18 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 45.6 t0 69.24 34.17 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.27 -32.91 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 876' ' ' ILE . 75.0 mmm -147.42 160.11 42.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 10.4 pt-20 -129.84 148.85 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 883' ' ' ARG . . . . . 0.453 ' NE ' ' HB3' ' A' ' 888' ' ' PRO . 5.3 mtp-105 -76.48 111.23 11.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 884' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 886' ' ' GLU . 62.3 t0 -51.69 120.2 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 884' ' ' ASP . 6.7 mt-10 -70.05 -44.06 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 884' ' ' ASP . 54.8 m-20 -168.99 152.36 5.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.695 0.759 . . . . 0.0 110.828 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.541 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.1 Cg_endo -69.77 -21.43 33.45 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.8 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -92.4 129.29 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.541 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 21.6 m-85 -116.22 138.04 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.446 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 4.0 m-80 -105.13 148.54 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 895' ' ' ALA . 10.4 t80 -80.28 128.49 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.59 -26.76 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.193 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 831' ' ' GLN . 22.0 ttm-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.6 pt20 -39.51 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.2 m-85 -74.26 -45.26 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.435 ' HB3' HD22 ' A' ' 859' ' ' LEU . 56.5 mm-40 -55.29 -43.65 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.556 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.2 mp -69.14 -57.51 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.727 ' OD1' HD21 ' A' ' 875' ' ' LEU . 2.0 t0 -50.45 -51.55 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.14 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.411 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -60.81 -44.22 97.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.644 HG23 HD11 ' A' ' 851' ' ' LEU . 90.7 mt -61.33 -59.42 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 83.8 t -47.83 -50.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -56.2 -53.84 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 835' ' ' ALA . 18.8 mt -55.98 -60.71 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.554 ' SD ' HG22 ' A' ' 836' ' ' ILE . 7.8 mtt -53.8 -60.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 840' ' ' MET . 46.9 tttt -35.41 -52.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.15 -40.32 90.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.7 mmm180 -99.06 95.77 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.0 OUTLIER -34.33 -55.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.5 m -124.52 134.44 53.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.1 tp -148.59 149.36 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 52.0 p -91.64 172.83 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.14 -60.14 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -44.53 -54.25 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.37 -42.48 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.644 HD11 HG23 ' A' ' 836' ' ' ILE . 49.1 tp -55.8 -62.41 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 853' ' ' SER . 34.1 m -52.51 -41.28 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 852' ' ' VAL . 45.3 t -52.03 -60.73 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -51.74 -55.21 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.41 -55.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -56.51 -44.93 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -52.9 -34.26 54.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -82.59 -39.82 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 15.7 mt -88.05 115.74 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -85.61 26.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 861' ' ' PHE . . . . . 0.716 ' CE2' HG22 ' A' ' 863' ' ' VAL . 13.4 p90 -136.4 152.91 75.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.8 28.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.716 HG22 ' CE2' ' A' ' 861' ' ' PHE . 95.4 t -130.39 118.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -49.84 154.81 1.68 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.05 8.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.11 -52.67 62.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.5 -58.58 7.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.99 -57.32 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -54.04 -54.03 44.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -47.77 -53.48 15.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 829' ' ' GLN . 31.2 mmm180 -53.53 -49.31 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.01 -52.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -53.64 -60.44 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 61.6 m -41.24 -54.46 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.727 HD21 ' OD1' ' A' ' 833' ' ' ASP . 31.3 mt -51.41 -53.39 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 78.5 mt -48.82 -46.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.34 -12.64 60.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 878' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 34.1 mtt180 -86.14 31.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.66 48.21 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 880' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.9 m-85 -125.37 -37.74 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.546 ' HE1' ' HB3' ' A' ' 840' ' ' MET . 78.2 mmm -141.8 161.38 38.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.6 pt-20 -130.94 137.71 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -76.01 119.75 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -53.58 123.93 13.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -45.99 -35.57 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.35 -49.51 71.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.2 t-20 -156.54 139.83 11.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.5 Cg_endo -69.75 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -72.98 -39.95 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.19 116.09 28.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -100.19 149.32 23.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 54.4 m-20 -117.72 148.76 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 22.6 t80 -81.48 127.41 32.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 5.2 pt -120.43 -34.49 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 832' ' ' ILE . 68.7 mtm180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.0 pt20 -39.49 -38.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.407 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 28.6 m-85 -72.46 -38.42 68.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 828' ' ' ARG . 6.8 mm-40 -60.93 -45.68 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.663 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.2 mp -69.06 -55.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.5 ' CG ' HD21 ' A' ' 875' ' ' LEU . 7.5 t0 -56.17 -40.4 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -61.35 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.13 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.623 HG23 HD11 ' A' ' 851' ' ' LEU . 54.4 mt -60.9 -66.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.575 HG22 HD22 ' A' ' 875' ' ' LEU . 99.4 t -45.59 -36.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.86 -56.43 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.439 HD13 ' CB ' ' A' ' 854' ' ' GLU . 39.7 mt -54.95 -55.23 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.461 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.2 mmm -51.2 -48.25 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -50.99 -52.75 39.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.481 ' HG3' HD13 ' A' ' 846' ' ' LEU . 15.3 mmm180 -91.81 94.68 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.0 mmmp? -34.78 -36.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 845' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 891' ' ' TYR . 89.2 m -146.61 124.14 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 846' ' ' LEU . . . . . 0.481 HD13 ' HG3' ' A' ' 843' ' ' ARG . 6.0 tp -139.99 152.51 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.2 t -102.01 -178.48 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -63.13 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -41.43 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 -38.96 86.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.623 HD11 HG23 ' A' ' 836' ' ' ILE . 33.9 tp -61.23 -68.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.8 HG12 HD21 ' A' ' 868' ' ' LEU . 32.8 m -44.04 -42.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.1 t -54.92 -60.19 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 854' ' ' GLU . . . . . 0.439 ' CB ' HD13 ' A' ' 839' ' ' ILE . 20.9 mm-40 -51.77 -53.83 35.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -47.37 -52.96 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 27.7 m-85 -53.85 -41.83 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -64.04 -29.45 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -79.64 -41.58 26.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 15.1 mt -86.3 132.13 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -74.0 -15.54 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -119.87 146.31 41.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.61 54.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 79.4 t -111.54 141.73 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -64.72 156.11 79.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.33 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.26 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -53.95 -66.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 867' ' ' ASP . . . . . 0.413 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 34.4 m-20 -52.11 -55.73 18.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.8 HD21 HG12 ' A' ' 852' ' ' VAL . 14.2 tp -44.81 -51.13 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -54.53 -56.3 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 870' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 33.7 mtmt -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -54.35 -46.37 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.3 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.93 -61.4 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 877' ' ' ASP . 47.4 p -42.56 -67.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.575 HD22 HG22 ' A' ' 837' ' ' VAL . 59.9 mt -39.36 -51.31 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.95 -36.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 877' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 874' ' ' SER . 5.1 t70 -84.8 -9.23 58.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -80.26 12.92 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 879' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 879' ' ' ASP . 0.4 OUTLIER 68.58 35.08 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 880' ' ' TYR . . . . . 0.455 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 23.2 m-85 -116.99 -33.95 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 90.7 mmm -135.84 166.55 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.2 pt-20 -142.63 139.94 31.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -76.06 121.77 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 884' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 886' ' ' GLU . 45.5 t0 -49.07 112.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 885' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 884' ' ' ASP . 17.9 mmtm -37.55 -28.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.7 mt-10 -69.51 -60.94 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -143.48 140.9 18.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.74 7.35 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.16 -23.48 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -107.5 143.12 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 845' ' ' THR . 8.9 m-85 -123.65 145.8 48.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.46 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 25.2 m-80 -117.22 160.61 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 55.1 t80 -90.52 132.85 35.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.455 ' CG1' ' C ' ' A' ' 880' ' ' TYR . 1.7 pt -123.73 -42.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.565 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 831' ' ' GLN . 11.1 mmt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.793 0.33 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 2.0 pt20 -39.58 -30.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.463 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -78.02 -39.54 41.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 828' ' ' ARG . 26.8 mm-40 -61.13 -46.31 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.579 HD12 ' N ' ' A' ' 832' ' ' ILE . 3.0 mp -70.77 -54.97 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -57.31 -40.51 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 834' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -59.85 -57.95 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -51.03 -37.13 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.488 HG22 ' SD ' ' A' ' 840' ' ' MET . 71.9 mt -67.21 -63.68 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.79 -46.02 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -61.08 -64.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 835' ' ' ALA . 24.9 mt -45.99 -56.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.488 ' SD ' HG22 ' A' ' 836' ' ' ILE . 22.3 mtt -51.96 -57.78 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 893' ' ' TYR . 27.6 tptt -37.41 -64.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 16.5 mmt -54.96 -43.8 73.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.9 mmp_? -97.38 94.47 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 844' ' ' LYS . 0.0 OUTLIER -35.02 -53.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 845' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 891' ' ' TYR . 91.2 m -125.99 135.65 52.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.3 tp -147.25 149.83 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 847' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 848' ' ' HIS . 71.3 p -103.59 150.58 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 848' ' ' HIS . . . . . 0.645 ' NE2' HG11 ' A' ' 852' ' ' VAL . 25.7 t60 -35.42 -53.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -45.49 -57.65 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 850' ' ' LEU . 3.5 mm? -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.479 HD11 HG23 ' A' ' 836' ' ' ILE . 57.0 tp -46.55 -72.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.645 HG11 ' NE2' ' A' ' 848' ' ' HIS . 16.1 m -45.11 -44.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 852' ' ' VAL . 5.6 t -55.99 -65.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -49.4 -47.36 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 52.9 t -49.27 -53.37 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 35.1 m-85 -55.45 -42.87 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.86 -32.01 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -83.44 -36.89 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.29 128.62 35.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -28.21 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -113.06 151.12 43.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 69.8 t -124.89 134.86 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.7 158.89 28.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.7 10.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.74 -60.45 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.39 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 60.8 tp -43.56 -56.34 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -60.97 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.41 -42.84 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.414 ' HG3' HG21 ' A' ' 832' ' ' ILE . 13.1 mmp_? -63.23 -50.08 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.04 -62.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -46.71 -59.11 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 m -41.75 -59.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 836' ' ' ILE . 34.7 mt -45.96 -50.01 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 881' ' ' MET . 57.9 mt -53.56 -39.56 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.7 -17.29 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -80.26 11.07 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 69.34 46.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -120.13 -34.31 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.56 ' O ' HG23 ' A' ' 876' ' ' ILE . 52.6 mmm -142.02 150.25 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -117.41 137.0 52.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -76.08 115.38 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.42 126.4 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 885' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 886' ' ' GLU . 0.0 OUTLIER -47.99 -30.23 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.471 ' HG3' ' ND2' ' A' ' 887' ' ' ASN . 6.5 pt-20 -63.74 -42.95 97.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 886' ' ' GLU . 17.8 p30 -169.02 143.46 2.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -4.36 13.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -75.65 -27.35 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -99.47 133.63 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.434 ' CE1' HD11 ' A' ' 876' ' ' ILE . 22.0 m-85 -119.66 141.33 49.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -115.12 149.8 37.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.582 ' CE2' ' HD2' ' A' ' 841' ' ' LYS . 6.9 t80 -80.07 126.48 31.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 3.7 pt -120.51 -33.19 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.417 ' O ' ' CE2' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 831' ' ' GLN . 21.4 ttp180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -39.57 -33.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.477 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.5 m-85 -72.31 -39.46 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 828' ' ' ARG . 31.7 mt-30 -64.31 -32.01 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.664 HG21 ' HG3' ' A' ' 871' ' ' ARG . 2.2 mp -73.59 -60.1 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.483 ' O ' HG23 ' A' ' 837' ' ' VAL . 0.1 OUTLIER -53.35 -45.48 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 834' ' ' ALA . . . . . 0.479 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.92 -55.66 32.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.459 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -52.48 -43.61 65.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 851' ' ' LEU . 81.2 mt -59.02 -58.94 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 833' ' ' ASP . 78.8 t -48.78 -53.56 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -55.39 -57.87 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.7 mt -50.24 -59.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.561 ' HE1' HD22 ' A' ' 851' ' ' LEU . 2.5 mmt -53.05 -43.22 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 3.1 ttmp? -53.49 -59.7 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 84.4 mmm -55.51 -41.88 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.2 mmm180 -95.24 97.93 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 31.4 mmtm -34.49 -51.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 98.8 m -133.14 133.16 42.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 846' ' ' LEU . . . . . 0.448 ' HG ' ' CB ' ' A' ' 850' ' ' LEU . 9.5 tp -141.23 146.09 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 847' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 848' ' ' HIS . 70.4 m -94.08 147.67 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 848' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 847' ' ' SER . 45.7 t-80 -34.88 -55.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.17 -51.48 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 846' ' ' LEU . 3.7 mm? -61.43 -34.5 75.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.561 HD22 ' HE1' ' A' ' 840' ' ' MET . 25.5 tp -64.51 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.408 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 35.5 m -47.51 -38.19 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.5 t -61.94 -57.2 12.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 854' ' ' GLU . . . . . 0.429 ' CB ' HG21 ' A' ' 839' ' ' ILE . 13.1 mm-40 -52.11 -56.51 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.92 -57.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 18.1 m-85 -50.49 -38.96 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -62.83 -35.98 81.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -79.71 -30.08 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 859' ' ' LEU . 5.5 mt -100.94 118.55 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 15.25 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -133.28 150.19 74.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 140.46 42.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 75.7 t -120.81 122.13 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -48.02 153.13 1.24 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.549 0.69 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.81 18.01 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.677 2.251 . . . . 0.0 112.399 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.84 70.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.35 -47.88 66.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.95 -62.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 869' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 872' ' ' ILE . 1.1 mmmm -52.34 -50.62 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -52.31 -48.28 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.664 ' HG3' HG21 ' A' ' 832' ' ' ILE . 10.2 mmp_? -56.79 -42.15 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 872' ' ' ILE . . . . . 0.559 HG12 HD21 ' A' ' 851' ' ' LEU . 64.7 mt -62.02 -64.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -48.8 -60.48 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 877' ' ' ASP . 16.3 p -42.03 -66.74 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 837' ' ' VAL . 42.8 mt -38.99 -51.57 1.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.892 HG23 ' O ' ' A' ' 881' ' ' MET . 78.8 mt -53.39 -37.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 877' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 874' ' ' SER . 38.6 t70 -77.28 -17.5 58.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 878' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 880' ' ' TYR . 1.0 OUTLIER -84.56 26.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 39.0 t70 56.29 31.95 19.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 880' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 878' ' ' ARG . 17.7 m-85 -100.97 -37.11 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.892 ' O ' HG23 ' A' ' 876' ' ' ILE . 73.6 mmm -146.76 142.74 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.39 139.86 49.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -77.28 137.08 38.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -81.17 147.69 29.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -72.1 -40.56 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.4 pt-20 -48.55 -38.4 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 8.6 m120 -162.28 136.66 5.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -4.26 13.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.57 25.29 8.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -130.83 123.74 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.29 131.02 56.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -104.18 151.19 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.49 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 61.0 t80 -84.18 130.51 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.41 -36.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.436 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 831' ' ' GLN . 40.2 ttt180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.2 pt20 -39.26 -35.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 10.0 m-85 -72.13 -42.29 66.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 828' ' ' ARG . 44.6 mt-30 -56.66 -45.24 81.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.515 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.3 mp -70.45 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.404 ' CG ' ' HD3' ' A' ' 871' ' ' ARG . 16.2 m-20 -49.8 -48.59 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.27 -52.54 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ALA . . . . . 0.562 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -54.46 -44.14 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.646 HG23 HD11 ' A' ' 851' ' ' LEU . 73.3 mt -62.5 -56.02 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 875' ' ' LEU . 53.8 t -55.08 -48.99 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -57.43 -46.76 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.4 mt -63.39 -56.81 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.424 ' HE1' HD22 ' A' ' 851' ' ' LEU . 3.3 mmm -54.31 -44.03 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 27.2 ttmt -54.34 -52.59 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.83 -48.87 79.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.7 mmm180 -90.88 99.13 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 17.4 mmtp -34.49 -44.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 58.6 m -140.65 128.11 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 846' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 851' ' ' LEU . 8.7 tp -142.21 152.61 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 35.6 p -94.79 178.7 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 848' ' ' HIS . . . . . 0.573 ' O ' HG22 ' A' ' 852' ' ' VAL . 10.7 t60 -66.32 -49.33 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.27 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.44 -35.75 81.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.646 HD11 HG23 ' A' ' 836' ' ' ILE . 16.4 tp -60.46 -70.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.644 ' CG1' HD21 ' A' ' 868' ' ' LEU . 28.0 m -47.9 -38.44 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 15.8 t -55.97 -58.8 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -54.95 -47.44 74.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 83.7 t -50.4 -57.7 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 32.9 m-85 -50.65 -45.54 57.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -57.12 -34.28 68.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -79.76 -35.85 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 831' ' ' GLN . 21.5 mt -89.25 126.44 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -63.69 -25.15 68.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.45 151.75 47.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.25 19.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.76 140.13 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -67.24 160.59 70.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.689 . . . . 0.0 110.944 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -52.28 -58.94 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 867' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 868' ' ' LEU . 24.2 m-20 -60.05 -61.55 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.644 HD21 ' CG1' ' A' ' 852' ' ' VAL . 31.5 tp -35.27 -58.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -49.21 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -55.45 -42.88 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.1 mmp_? -61.49 -52.08 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.26 -59.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.31 -49.73 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 15.2 m -50.22 -57.35 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 837' ' ' VAL . 37.9 mt -52.41 -47.0 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 891' ' ' TYR . 95.9 mt -53.67 -39.05 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.78 -14.76 50.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -84.85 27.36 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.32 50.62 14.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 880' ' ' TYR . . . . . 0.556 ' HA ' ' HB2' ' A' ' 895' ' ' ALA . 40.8 m-85 -128.98 -37.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.423 ' O ' HG23 ' A' ' 876' ' ' ILE . 95.5 mmm -138.18 156.31 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.9 pt-20 -129.45 142.5 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -75.93 113.54 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -47.37 118.57 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.45 -35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.36 -46.71 87.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -159.21 143.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.82 10.8 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -78.55 -38.27 40.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -90.18 134.02 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.427 ' CE1' HD11 ' A' ' 876' ' ' ILE . 27.6 m-85 -117.08 143.16 46.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 32.9 m-80 -113.86 150.71 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 841' ' ' LYS . 53.6 t80 -76.33 124.21 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 894' ' ' ILE . . . . . 0.411 HG12 ' C ' ' A' ' 880' ' ' TYR . 22.3 pt -121.08 -39.82 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 880' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.552 ' O ' HD12 ' A' ' 832' ' ' ILE . 49.6 mtm-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.4 pt20 -39.68 -34.17 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.472 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -70.27 -44.58 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 828' ' ' ARG . 64.6 mm-40 -59.34 -33.78 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 828' ' ' ARG . 3.8 mp -70.56 -58.21 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 834' ' ' ALA . 0.1 OUTLIER -58.19 -44.81 88.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 834' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.0 -49.96 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.2 -44.73 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 851' ' ' LEU . 63.2 mt -58.7 -60.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.38 -39.18 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -62.95 -45.33 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.3 mt -65.77 -48.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.41 ' SD ' ' HE2' ' A' ' 881' ' ' MET . 3.4 mmt -58.86 -48.33 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -51.89 -57.4 9.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.54 -36.27 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 844' ' ' LYS . 24.6 mmt180 -108.59 90.69 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 843' ' ' ARG . 7.4 mptt -34.68 -58.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 16.6 m -118.49 125.18 49.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 5.5 tp -145.58 151.21 37.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 90.3 p -93.79 165.18 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 848' ' ' HIS . . . . . 0.437 ' CE1' HG11 ' A' ' 852' ' ' VAL . 11.9 t-80 -54.08 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -44.69 -53.78 6.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.97 -36.66 82.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 836' ' ' ILE . 37.7 tp -64.78 -71.93 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 853' ' ' SER . 33.0 m -40.66 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.488 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.3 t -54.82 -57.24 12.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -52.91 -45.78 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.6 t -51.31 -53.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -54.41 -43.79 71.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -60.8 -30.16 69.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -81.91 -38.88 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.6 mt -91.2 132.75 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -74.26 -26.51 60.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -106.06 149.12 37.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 153.65 68.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 864' ' ' LYS . 70.6 t -113.59 155.4 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 864' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 863' ' ' VAL . 0.4 OUTLIER -75.8 154.58 85.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.754 2.303 . . . . 0.0 112.33 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.36 -62.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -51.89 -43.37 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 852' ' ' VAL . 14.3 tp -52.37 -47.19 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.71 -63.14 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -48.81 -43.08 37.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -55.08 -59.45 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.49 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -44.84 -62.42 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 64.9 m -41.61 -57.5 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.15 -44.33 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.436 ' CD1' ' CE1' ' A' ' 891' ' ' TYR . 86.6 mt -57.72 -35.9 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -84.52 -13.08 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 878' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 11.8 mtp180 -84.55 34.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.22 46.98 25.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 880' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.5 m-85 -124.73 -36.22 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.41 ' HE2' ' SD ' ' A' ' 840' ' ' MET . 89.4 mmm -142.04 165.01 28.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.8 pt-20 -134.44 138.61 44.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -75.95 111.48 11.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 884' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 885' ' ' LYS . 33.8 t0 -43.17 117.34 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 885' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 884' ' ' ASP . 56.4 mttt -35.86 -42.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.48 -60.24 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -146.5 144.42 20.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.586 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.2 Cg_endo -69.69 -9.96 27.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -67.83 -37.88 82.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -95.43 113.94 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.586 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 24.1 m-85 -101.05 150.51 22.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.5 m-80 -121.48 153.15 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 64.5 t80 -79.51 136.65 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.5 pt -128.92 -39.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.723 0.297 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.7 pt20 -39.19 -45.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.45 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 11.1 m-85 -61.37 -44.11 97.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -54.54 -44.82 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.794 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.0 mp -62.07 -62.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.92 -58.96 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -40.32 -56.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.44 72.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.766 HG23 HD11 ' A' ' 851' ' ' LEU . 97.6 mt -65.06 -69.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 97.4 t -42.32 -38.73 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -62.13 -52.59 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.407 HG22 HD22 ' A' ' 846' ' ' LEU . 17.8 mt -58.18 -55.84 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.591 ' HB3' ' HE2' ' A' ' 881' ' ' MET . 5.6 mtt -56.15 -64.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 840' ' ' MET . 17.5 ttpp -34.58 -52.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.63 -43.76 97.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 840' ' ' MET . 9.8 mmm180 -96.69 97.85 9.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 843' ' ' ARG . 48.8 mmtt -35.05 -43.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.4 m -138.49 130.67 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 846' ' ' LEU . . . . . 0.413 HD13 ' HE ' ' A' ' 843' ' ' ARG . 6.9 tp -146.54 154.33 41.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 96.1 p -94.48 169.98 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 848' ' ' HIS . . . . . 0.485 ' NE2' HG11 ' A' ' 852' ' ' VAL . 40.6 t60 -61.91 -50.77 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -49.37 -56.67 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.766 HD11 HG23 ' A' ' 836' ' ' ILE . 26.5 tp -64.4 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 853' ' ' SER . 32.8 m -51.47 -44.16 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.505 ' N ' HG23 ' A' ' 852' ' ' VAL . 4.9 t -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.41 -52.64 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 855' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 836' ' ' ILE . 69.7 t -49.71 -55.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -48.44 -46.2 37.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.48 -32.26 72.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -76.44 -39.88 52.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.86 131.51 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -110.68 147.45 36.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.43 62.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 93.8 t -118.12 130.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -58.89 156.52 24.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -38.22 7.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.35 -59.48 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -61.37 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 21.8 tp -41.53 -55.34 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.63 -47.06 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.794 ' HG3' HG21 ' A' ' 832' ' ' ILE . 27.0 mmm180 -58.91 -53.28 60.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.92 -62.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -40.28 -56.26 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 27.0 t -49.49 -51.74 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.0 mt -53.45 -46.33 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 881' ' ' MET . 64.7 mt -55.85 -38.48 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.76 -14.07 52.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -83.94 16.08 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 22.4 t0 64.46 51.17 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -127.43 -30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.591 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 88.0 mmm -147.36 147.93 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.7 pt-20 -119.6 137.06 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -75.85 122.27 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -54.39 117.14 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 885' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 886' ' ' GLU . 2.1 pttp -42.75 -26.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 886' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 885' ' ' LYS . 5.6 mt-10 -69.49 -52.85 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -156.13 144.19 14.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -1.31 8.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -78.99 -27.44 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -103.27 132.26 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.6 141.11 49.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 12.3 m-80 -110.76 153.88 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 31.3 t80 -84.68 127.15 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.0 pt -120.94 -34.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 895' ' ' ALA . . . . . 0.629 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 831' ' ' GLN . 37.3 mtt85 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.767 0.317 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 829' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.3 pt20 -38.04 -30.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 830' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.3 m-85 -78.18 -42.47 31.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 828' ' ' ARG . 21.4 mm100 -55.65 -43.73 76.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.51 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.0 mp -73.13 -55.58 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.689 ' CG ' HD21 ' A' ' 875' ' ' LEU . 8.5 t0 -51.69 -41.79 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.04 -51.37 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.27 68.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.767 HG23 HD11 ' A' ' 851' ' ' LEU . 53.5 mt -63.28 -69.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 833' ' ' ASP . 59.7 t -37.64 -45.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -60.01 -48.12 83.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 839' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 854' ' ' GLU . 21.7 mt -62.72 -49.61 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.496 ' SD ' HD13 ' A' ' 851' ' ' LEU . 2.9 mmt -47.78 -53.0 16.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.85 -51.65 28.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 52.2 mtt -62.19 -47.68 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.1 mmm180 -101.34 85.67 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.3 mptm? -34.3 -64.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 845' ' ' THR . . . . . 0.409 HG22 ' CD ' ' A' ' 890' ' ' GLN . 36.4 m -115.05 119.42 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.0 tp -137.57 154.08 49.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.5 m -92.19 157.65 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -47.67 -60.51 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -44.6 -53.09 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 850' ' ' LEU . 3.6 mm? -63.09 -34.07 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 851' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 836' ' ' ILE . 63.5 tp -64.38 -69.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.461 HG12 HD21 ' A' ' 868' ' ' LEU . 27.2 m -46.57 -39.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 25.0 t -57.76 -50.42 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 854' ' ' GLU . . . . . 0.51 ' HB3' HD13 ' A' ' 839' ' ' ILE . 8.9 mm-40 -57.27 -57.93 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -42.51 -55.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -53.81 -41.97 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.77 -37.08 70.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -79.15 -36.7 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.0 mt -92.66 117.91 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -84.86 25.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 861' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' A' ' 863' ' ' VAL . 11.7 p90 -136.57 151.72 73.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 134.01 27.05 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 863' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 861' ' ' PHE . 94.6 t -126.29 112.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -43.87 154.56 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -34.68 14.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.64 92.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.37 -50.7 62.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.461 HD21 HG12 ' A' ' 852' ' ' VAL . 28.1 tp -55.92 -53.91 51.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -53.17 -53.61 48.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -55.7 -47.95 75.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 871' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 14.8 mmp_? -53.85 -49.06 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.13 -57.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.42 -58.85 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 874' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 877' ' ' ASP . 7.1 m -43.53 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.689 HD21 ' CG ' ' A' ' 833' ' ' ASP . 85.5 mt -38.97 -51.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 881' ' ' MET . 81.6 mt -51.92 -41.37 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 877' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 874' ' ' SER . 15.0 t0 -75.64 -15.56 60.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 33.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 49.3 35.09 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -110.68 -38.82 5.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 876' ' ' ILE . 87.8 mmm -138.82 157.61 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -132.71 144.12 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -77.02 112.6 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -44.62 132.08 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -53.67 -38.17 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.51 -53.62 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 887' ' ' ASN . . . . . 0.429 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.0 t-20 -148.79 139.84 13.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.0 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -81.72 -19.79 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 890' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 891' ' ' TYR . 1.7 tp-100 -97.27 144.27 27.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.429 ' N ' ' HG3' ' A' ' 890' ' ' GLN . 29.4 m-85 -123.37 136.7 54.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -112.72 153.52 27.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -84.26 115.51 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 10.1 pt -108.32 -12.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 828' ' ' ARG . . . . . 0.537 ' NH1' ' CD2' ' A' ' 861' ' ' PHE . 19.3 mmt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.744 0.307 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -38.84 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -77.23 -42.2 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 11.2 mm100 -56.95 -39.67 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 832' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 832' ' ' ILE . 3.9 mp -75.85 -58.96 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.554 ' OD1' HD21 ' A' ' 875' ' ' LEU . 52.8 t0 -53.59 -31.98 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -72.25 -55.02 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.53 -44.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 836' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' A' ' 840' ' ' MET . 86.8 mt -60.85 -61.99 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.23 -38.88 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -66.47 -37.32 84.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 29.9 mt -75.43 -60.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.559 ' HE1' ' HG3' ' A' ' 881' ' ' MET . 7.8 mtt -48.26 -54.55 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -40.01 -60.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.3 mtt -58.05 -41.64 83.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 843' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.2 mmt-85 -98.78 95.98 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 844' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 893' ' ' TYR . 7.8 mptt -34.57 -55.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 87.1 m -123.67 132.09 53.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -144.84 148.43 33.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 3.9 m -95.56 160.34 14.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -49.0 -48.38 43.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 849' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 852' ' ' VAL . 32.3 t30 -55.16 -68.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.49 -31.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 49.1 tp -72.11 -65.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 852' ' ' VAL . . . . . 0.64 HG22 ' CE2' ' A' ' 856' ' ' TYR . 0.4 OUTLIER -37.91 -37.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.415 ' N ' ' CG1' ' A' ' 852' ' ' VAL . 47.7 t -70.65 -60.71 2.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -47.96 -46.99 32.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 23.5 t -57.76 -64.16 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 856' ' ' TYR . . . . . 0.64 ' CE2' HG22 ' A' ' 852' ' ' VAL . 9.3 m-85 -42.84 -37.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -66.89 -40.5 87.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -73.15 -29.4 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.1 mt -101.78 120.96 41.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -84.48 23.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 861' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 859' ' ' LEU . 16.1 p90 -141.32 148.47 51.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.748 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.32 42.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 65.5 t -128.03 130.01 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -60.85 154.18 60.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -34.31 14.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.16 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -63.79 -53.85 44.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.9 tp -52.2 -61.51 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -48.34 -50.62 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -54.55 -44.8 73.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -61.04 -46.5 90.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.33 -63.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -47.24 -55.54 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 m -49.38 -54.37 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 875' ' ' LEU . . . . . 0.554 HD21 ' OD1' ' A' ' 833' ' ' ASP . 47.1 mt -51.08 -50.16 59.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 876' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 881' ' ' MET . 84.1 mt -50.88 -43.17 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.84 -15.24 59.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -81.98 16.04 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 64.68 51.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.15 -36.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 881' ' ' MET . . . . . 0.796 ' O ' HG23 ' A' ' 876' ' ' ILE . 80.4 mmm -142.22 145.83 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 882' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 6.7 pt-20 -114.53 142.2 46.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -77.63 116.4 18.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -50.74 119.9 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -41.78 -32.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.72 -46.94 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -162.29 144.01 8.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.672 0.748 . . . . 0.0 110.821 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 888' ' ' PRO . . . . . 0.563 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.3 Cg_endo -69.75 -12.54 33.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -100.73 117.72 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 891' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 11.0 m-85 -105.23 140.39 38.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 892' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 67.9 m-20 -108.79 149.52 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 893' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 844' ' ' LYS . 38.9 t80 -78.14 125.29 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.88 -29.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 24.8 p -132.79 162.2 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.8 t -47.26 -47.99 24.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.16 123.13 5.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 20.2 m 39.25 43.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 1.7 t -107.91 155.45 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -89.42 -57.71 1.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.8 tp -117.56 140.75 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -123.5 98.76 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -172.4 116.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -133.1 152.88 51.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -172.34 125.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 7.3 p -139.18 152.41 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 814' ' ' VAL . 34.6 m -129.71 126.83 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -129.7 139.61 51.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -124.08 86.23 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -149.39 128.15 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -42.44 -43.41 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.4 m -42.67 164.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 11.8 m -122.07 129.11 52.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 23.4 p -82.75 -177.0 6.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -101.9 -30.17 11.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -67.61 -27.73 67.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 824' ' ' VAL . 14.0 p -67.76 -8.78 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 825' ' ' PHE . 3.3 t80 -79.78 -40.1 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -80.88 -41.34 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.49 -38.31 74.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.515 ' O ' HD12 ' A' ' 832' ' ' ILE . 16.0 ttm180 -64.91 -68.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -40.84 -39.38 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -69.28 -47.11 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -52.3 -41.16 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.542 HG21 ' HG3' ' A' ' 871' ' ' ARG . 4.1 mp -73.42 -71.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.435 ' OD1' HD21 ' A' ' 875' ' ' LEU . 19.4 t0 -41.27 -37.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.38 -49.47 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -60.15 -33.87 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 851' ' ' LEU . 45.5 mt -69.99 -54.48 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 75.2 t -55.95 -41.22 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.078 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.02 -45.78 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 835' ' ' ALA . 24.2 mt -66.6 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.422 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.4 mmm -48.02 -52.25 20.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 32.2 ttpt -48.45 -61.44 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 64.6 mmm -51.98 -36.65 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.1 mmt180 -101.05 93.63 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.7 mmmp? -34.35 -45.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 30.5 m -140.98 117.68 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -130.41 153.01 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 8.0 m -95.7 177.46 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -61.73 -55.02 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -53.75 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 850' ' ' LEU . 3.8 mm? -58.75 -33.84 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 872' ' ' ILE . 12.0 tp -70.63 -69.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 28.3 m -44.27 -37.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 39.4 t -65.38 -55.69 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.21 -54.0 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 39.8 t -47.59 -54.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 13.6 m-85 -51.64 -44.66 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.79 -32.97 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -80.16 -24.11 40.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 861' ' ' PHE . 8.6 mt -105.62 117.71 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -80.71 12.13 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 861' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 859' ' ' LEU . 11.1 p90 -131.2 145.98 60.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.99 22.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 97.4 t -110.66 147.37 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -75.11 155.32 86.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.81 13.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.284 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.17 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.35 -53.26 25.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 29.4 tp -50.24 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.05 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -51.98 -47.12 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.542 ' HG3' HG21 ' A' ' 832' ' ' ILE . 14.0 mmp_? -55.29 -48.39 74.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 872' ' ' ILE . . . . . 0.48 HG12 HD21 ' A' ' 851' ' ' LEU . 52.1 mt -57.94 -69.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 873' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 872' ' ' ILE . 52.0 mt-10 -36.98 -60.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 47.2 m -46.21 -64.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.435 HD21 ' OD1' ' A' ' 833' ' ' ASP . 75.0 mt -41.98 -49.94 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 881' ' ' MET . 30.8 mt -52.53 -44.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -79.23 -12.7 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -86.92 26.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.98 48.18 18.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -125.84 -37.03 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.654 ' O ' HG23 ' A' ' 876' ' ' ILE . 93.6 mmm -142.23 149.07 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.21 144.6 50.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.75 128.23 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -61.29 122.97 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -38.75 -38.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.27 -65.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.73 144.0 23.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.672 0.748 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.45 4.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -78.38 -20.95 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -107.44 132.57 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -120.75 133.92 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -104.57 157.73 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.761 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 73.6 t80 -86.42 135.41 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.8 pt -129.93 -33.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.761 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -34.12 140.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 29.4 t -109.55 126.18 53.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . 175.87 146.22 5.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.85 26.28 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.739 2.293 . . . . 0.0 112.293 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 85.3 p -151.64 160.22 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 12.9 m -115.32 -46.88 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 23.3 t -54.87 160.88 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 110.852 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 73.4 p -51.92 -57.05 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -46.57 106.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 70.0 p -102.95 94.25 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.806 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 65.2 m -85.02 133.43 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -150.24 49.75 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.3 pt -56.15 142.43 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -142.48 122.38 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 13.6 mmm -111.98 94.71 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -82.77 64.29 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.49 123.67 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.4 t -120.97 141.48 50.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.84 86.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -150.13 171.63 16.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -118.48 129.53 55.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -163.58 107.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -60.18 102.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 7.8 t -115.44 133.98 55.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 82.2 p -64.48 172.08 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 3.2 t -37.59 131.57 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -116.2 -39.47 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 827' ' ' ASP . 19.5 ttp-105 -54.36 -42.99 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 10.7 p -49.2 -23.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 825' ' ' PHE . 5.3 t80 -78.72 -44.03 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 827' ' ' ASP . 5.5 mm100 -99.22 5.35 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 823' ' ' ARG . 0.4 OUTLIER -37.69 -47.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 832' ' ' ILE . 12.0 tpp180 -47.53 -71.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.1 pt20 -47.08 -30.32 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.466 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.6 m-85 -76.06 -35.18 59.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.59 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.1 mp -70.82 -56.63 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 837' ' ' VAL . 15.3 m-20 -53.02 -38.67 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.46 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.76 58.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.815 HG23 HD11 ' A' ' 851' ' ' LEU . 67.6 mt -61.34 -62.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 833' ' ' ASP . 84.3 t -44.07 -39.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -69.34 -53.46 19.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.814 HD13 ' HB2' ' A' ' 854' ' ' GLU . 40.1 mt -55.28 -52.69 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.443 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.1 mmm -58.85 -50.02 75.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 31.1 ttpt -48.26 -57.44 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 13.4 mmt -54.07 -48.23 70.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.8 mmm180 -90.57 99.11 12.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 27.7 mmtp -34.38 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 63.1 m -141.54 136.16 30.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' LEU . . . . . 0.501 HD11 HD13 ' A' ' 850' ' ' LEU . 7.4 tp -148.57 164.58 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 31.9 m -109.35 178.59 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -63.55 -53.02 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -42.32 -63.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 846' ' ' LEU . 12.0 mt -63.93 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.815 HD11 HG23 ' A' ' 836' ' ' ILE . 12.0 tp -41.24 -66.58 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.55 ' CG1' HD21 ' A' ' 868' ' ' LEU . 28.1 m -60.1 -34.64 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 8.4 t -55.87 -57.4 12.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 854' ' ' GLU . . . . . 0.814 ' HB2' HD13 ' A' ' 839' ' ' ILE . 6.1 mm-40 -57.98 -50.18 74.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 855' ' ' VAL . . . . . 0.434 HG21 HG12 ' A' ' 836' ' ' ILE . 55.3 t -44.68 -53.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.747 ' OH ' HD22 ' A' ' 868' ' ' LEU . 43.7 m-85 -57.85 -47.87 81.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -54.61 -28.97 50.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -83.5 -41.29 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 832' ' ' ILE . 14.6 mt -83.81 130.93 34.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -22.12 62.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 861' ' ' PHE . . . . . 0.415 ' CE1' ' HD2' ' A' ' 828' ' ' ARG . 8.2 p90 -114.62 149.93 43.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.18 67.91 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.83 140.47 35.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -64.47 158.02 68.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -40.75 4.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.8 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 867' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 868' ' ' LEU . 42.3 m-20 -58.23 -62.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.747 HD22 ' OH ' ' A' ' 856' ' ' TYR . 24.6 tp -34.45 -56.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -55.18 -48.52 73.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 870' ' ' LYS . . . . . 0.421 ' HB3' ' NH2' ' A' ' 871' ' ' ARG . 71.8 mttt -55.53 -68.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.437 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -36.72 -48.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 872' ' ' ILE . . . . . 0.694 HG12 HD21 ' A' ' 851' ' ' LEU . 63.2 mt -53.93 -68.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.29 -59.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 43.8 m -42.49 -60.32 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 59.1 mt -46.39 -44.56 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 881' ' ' MET . 80.6 mt -60.07 -33.1 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.47 -11.34 49.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -86.81 27.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 55.13 37.09 28.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -114.9 -36.8 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 876' ' ' ILE . 91.8 mmm -142.21 148.7 38.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 11.3 pt-20 -118.34 148.84 42.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -87.61 127.16 35.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.48 118.78 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 885' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 885' ' ' LYS . 0.0 OUTLIER -42.11 -32.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.03 -50.26 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.434 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 2.6 t-20 -154.51 141.23 13.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.8 -12.36 32.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.21 -39.27 86.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.41 130.98 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 22.5 m-85 -118.87 144.99 46.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.448 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 24.1 m-80 -110.99 161.8 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 30.9 t80 -90.07 129.86 36.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 881' ' ' MET . 2.2 pt -120.69 -35.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -52.38 138.32 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 3.2 m -120.88 114.39 21.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -155.28 177.52 32.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 119.21 6.19 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 3.2 m -111.18 127.06 55.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 1.4 t -142.75 158.34 43.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.4 t -157.01 166.65 32.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.7 p -116.9 158.23 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -132.1 100.56 0.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 14.3 p -166.95 116.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 27.0 t -154.25 159.67 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 179.08 -30.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.505 ' O ' HG23 ' A' ' 808' ' ' ILE . 10.7 tp -54.19 124.98 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.768 0.318 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -131.28 179.03 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 4.9 ptm -108.85 -179.03 3.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 812' ' ' GLU . 34.4 tttm -136.83 151.48 49.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 812' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 811' ' ' LYS . 34.5 tt0 -91.03 99.03 12.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 69.7 m -164.35 134.05 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 63.6 t -109.91 99.42 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -120.73 146.04 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -153.72 109.1 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -137.61 131.0 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -89.86 87.16 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 4.1 t -171.1 150.11 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 25.2 p -65.74 91.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.582 ' O ' HG12 ' A' ' 824' ' ' VAL . 55.5 m -141.55 141.16 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 821' ' ' THR . 30.4 mt-10 -34.18 -34.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 823' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 821' ' ' THR . 23.5 mmt180 -48.48 -50.99 29.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 821' ' ' THR . 9.0 p -43.81 -23.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -68.4 -50.38 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 827' ' ' ASP . 15.0 mt-30 -61.97 -59.54 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 826' ' ' GLN . 29.5 t70 -36.14 -37.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 832' ' ' ILE . 17.0 mtm180 -68.79 -73.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -39.63 -33.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.493 ' O ' ' CB ' ' A' ' 834' ' ' ALA . 38.0 m-85 -75.22 -40.82 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 828' ' ' ARG . 7.8 mm100 -59.73 -47.43 85.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.694 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.3 mp -67.24 -60.43 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.496 ' OD2' HD21 ' A' ' 875' ' ' LEU . 5.7 t0 -54.18 -41.81 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 834' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -58.16 -55.73 31.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.54 -48.32 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.697 HG23 HD11 ' A' ' 851' ' ' LEU . 70.8 mt -55.67 -65.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 38.9 t -42.59 -48.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -59.89 -46.65 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.406 HG21 ' CB ' ' A' ' 854' ' ' GLU . 18.3 mt -62.79 -64.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.447 ' HE1' ' HG3' ' A' ' 881' ' ' MET . 8.0 mtt -49.48 -59.62 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.41 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 63.0 tttt -37.5 -46.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 2.6 mmt -70.81 -40.02 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 840' ' ' MET . 28.4 mmt180 -95.15 95.31 8.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 843' ' ' ARG . 28.7 mmtm -35.77 -43.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 845' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 891' ' ' TYR . 90.3 m -137.95 132.32 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 846' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 851' ' ' LEU . 7.9 tp -146.97 148.34 31.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.2 m -94.53 174.75 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 848' ' ' HIS . . . . . 0.48 ' O ' HG22 ' A' ' 852' ' ' VAL . 25.1 t60 -59.12 -60.49 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -48.11 -54.32 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -35.47 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 836' ' ' ILE . 44.3 tp -64.66 -69.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 848' ' ' HIS . 32.8 m -49.89 -32.08 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 40.1 t -63.9 -51.54 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' GLU . . . . . 0.406 ' CB ' HG21 ' A' ' 839' ' ' ILE . 21.9 mm-40 -56.47 -46.74 80.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 84.7 t -55.65 -58.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.54 -40.24 90.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -71.63 -40.27 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 832' ' ' ILE . 12.3 mt -93.15 116.83 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -84.48 19.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 861' ' ' PHE . . . . . 0.601 ' CE2' HG22 ' A' ' 863' ' ' VAL . 18.1 p90 -129.61 151.0 77.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.01 22.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.601 HG22 ' CE2' ' A' ' 861' ' ' PHE . 73.8 t -120.23 110.16 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -38.34 152.81 0.16 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -34.25 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.43 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -65.09 -54.21 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.39 -62.14 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -50.27 -52.66 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -52.29 -46.97 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.51 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.2 mmp_? -51.72 -52.19 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 78.6 mt -53.07 -58.8 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -47.04 -57.74 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 11.1 m -46.11 -61.74 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.496 HD21 ' OD2' ' A' ' 833' ' ' ASP . 29.3 mt -43.25 -50.9 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.01 -40.08 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.77 -15.92 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -84.76 16.91 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.71 50.36 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 880' ' ' TYR . . . . . 0.435 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 39.0 m-85 -122.94 -25.48 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.575 ' N ' HD11 ' A' ' 894' ' ' ILE . 71.8 mmm -149.13 161.87 41.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.3 pt-20 -133.82 139.96 46.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -76.52 119.41 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -51.33 127.32 19.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -49.61 -29.87 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.12 -68.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -133.64 143.35 47.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 1.12 4.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -88.64 -25.13 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -96.36 133.53 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 845' ' ' THR . 11.4 m-85 -122.42 147.6 46.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.431 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.4 m-80 -117.05 160.14 21.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 31.9 t80 -88.03 138.16 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.575 HD11 ' N ' ' A' ' 881' ' ' MET . 3.1 pt -129.88 -42.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -34.13 140.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 3.5 t -91.02 118.6 30.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -175.44 143.57 6.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.94 58.73 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 30.6 t -78.54 102.81 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 18.4 m -70.48 123.1 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.44 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 43.5 t -117.85 153.92 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 9.1 t -136.19 178.49 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.82 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -165.62 116.61 0.7 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 48.1 t -150.5 146.86 26.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 1.9 t -145.23 170.37 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -131.85 156.68 22.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.91 146.73 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.51 166.92 24.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 24.1 mmt -113.79 146.68 39.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -125.73 111.19 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -95.79 119.28 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 56.2 m -111.15 135.51 51.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 13.0 p -132.78 140.75 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -121.58 141.64 50.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -118.53 127.24 53.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.21 171.36 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -72.77 80.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 10.9 t -139.14 137.08 35.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 21.4 m -81.91 102.63 11.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 824' ' ' VAL . 12.8 m -122.84 144.51 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 823' ' ' ARG . 12.6 pt-20 -49.6 -44.64 47.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 823' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 1.1 tmt_? -54.38 -48.66 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.443 HG23 ' HB ' ' A' ' 821' ' ' THR . 88.8 t -43.36 -50.76 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -45.62 -54.75 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 827' ' ' ASP . 26.5 mt-30 -61.92 -49.22 77.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 826' ' ' GLN . 30.2 t70 -38.33 -33.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 831' ' ' GLN . 7.2 ttm105 -70.48 -70.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -38.58 -32.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.4 m-85 -75.88 -42.63 48.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.496 ' HB3' HD22 ' A' ' 859' ' ' LEU . 9.4 mm-40 -55.2 -43.44 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.591 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.3 mp -73.09 -62.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -49.04 -40.14 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.02 68.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.56 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -61.07 -44.06 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 93.7 mt -57.67 -60.3 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 87.3 t -52.01 -53.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -55.06 -49.1 72.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.0 mt -66.15 -68.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.425 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.9 mmm -40.4 -44.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -55.77 -54.36 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.6 mmm -56.8 -42.41 79.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 844' ' ' LYS . 9.4 mmm180 -96.4 101.2 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 843' ' ' ARG . 23.5 mmtm -35.6 -44.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 845' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 891' ' ' TYR . 30.9 m -137.55 134.62 35.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.4 tp -145.76 148.15 32.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 59.2 p -99.69 -178.08 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -64.77 -53.34 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -51.76 -55.93 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.4 -38.72 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.567 HD21 HG12 ' A' ' 872' ' ' ILE . 35.2 tp -59.8 -67.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 868' ' ' LEU . 30.8 m -46.48 -42.19 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 852' ' ' VAL . 40.1 t -54.06 -58.69 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.42 -55.89 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 60.1 t -39.51 -59.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -55.08 -40.15 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.47 -37.65 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.67 -35.68 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 11.7 mt -93.2 116.44 29.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -84.7 22.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 861' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 863' ' ' VAL . 34.8 p90 -133.66 152.25 78.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.18 22.85 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.566 HG22 ' CE2' ' A' ' 861' ' ' PHE . 87.4 t -117.97 116.25 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -48.48 153.35 1.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.37 12.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.333 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.79 -60.89 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 867' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 868' ' ' LEU . 0.9 OUTLIER -54.35 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 852' ' ' VAL . 33.0 tp -35.13 -56.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -50.94 -50.42 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 870' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 871' ' ' ARG . 45.9 mttm -55.53 -66.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -37.2 -47.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 872' ' ' ILE . . . . . 0.567 HG12 HD21 ' A' ' 851' ' ' LEU . 58.7 mt -60.17 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -49.62 -59.77 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 4.1 m -43.7 -58.09 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -48.68 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 881' ' ' MET . 77.4 mt -54.62 -37.72 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.52 -14.12 57.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 878' ' ' ARG . . . . . 0.431 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 27.0 mtp85 -84.59 25.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.16 47.84 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 880' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 42.2 m-85 -124.46 -37.82 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.453 ' O ' HG23 ' A' ' 876' ' ' ILE . 90.5 mmm -137.59 158.46 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 4.9 pt-20 -127.38 141.11 51.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.74 118.66 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 884' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 885' ' ' LYS . 32.5 t0 -48.26 112.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 885' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 884' ' ' ASP . 30.6 mtpt -34.44 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.76 -61.37 2.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -141.99 143.76 29.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.79 -11.82 31.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -67.63 -36.42 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -96.39 127.33 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 845' ' ' THR . 13.7 m-85 -113.29 154.41 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 37.1 m-80 -123.05 155.88 36.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 36.2 t80 -82.12 129.21 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.24 -35.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.428 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -47.04 144.05 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 16.0 t -118.52 111.67 18.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -114.55 162.69 12.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 174.73 9.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 3.2 m -168.08 112.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 37.1 t -59.01 105.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 71.2 p -170.77 113.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.4 t -151.47 172.21 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -163.52 148.24 14.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 26.4 t -164.42 136.71 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 58.7 p -163.24 177.68 8.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 117.39 112.09 2.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.618 HD13 ' N ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -159.21 144.73 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 809' ' ' GLN . . . . . 0.618 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.3 OUTLIER -163.94 138.28 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -81.8 139.5 34.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 134.82 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -38.86 152.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.1 t -150.57 155.94 40.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 31.0 m -84.24 126.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -158.41 114.49 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -82.22 134.43 35.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -169.32 159.97 9.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -103.19 96.31 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 24.7 t -135.79 145.26 46.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 820' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 820' ' ' THR . 10.3 t -169.7 123.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 5.5 p -123.0 177.9 5.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -104.87 -47.68 3.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -44.14 -32.5 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 825' ' ' PHE . 5.2 p -59.94 -44.43 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.441 ' N ' HG13 ' A' ' 824' ' ' VAL . 18.3 t80 -40.63 -41.97 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.95 -61.28 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -49.43 -25.97 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -72.15 -70.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -39.57 -41.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -67.22 -44.68 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -54.44 -45.07 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.496 HD12 ' N ' ' A' ' 832' ' ' ILE . 3.6 mp -69.9 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 833' ' ' ASP . 21.0 t0 -39.25 -41.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -65.4 -55.46 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -51.15 -40.42 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.666 HG23 HD11 ' A' ' 851' ' ' LEU . 55.0 mt -65.44 -57.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 31.6 t -55.55 -31.98 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -74.68 -32.19 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 835' ' ' ALA . 20.5 mt -79.0 -50.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.476 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.3 mmm -60.93 -46.22 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -51.69 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 8.6 mmt -53.4 -38.57 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.2 mmm180 -97.26 95.0 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.2 mmtm -34.32 -44.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 17.8 m -142.18 124.54 15.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.13 161.25 36.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 1.2 t -102.13 176.34 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.0 -60.88 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -50.08 -46.28 53.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.6 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.666 HD11 HG23 ' A' ' 836' ' ' ILE . 40.4 tp -69.46 -68.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 853' ' ' SER . 21.3 m -41.71 -43.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.503 ' N ' HG23 ' A' ' 852' ' ' VAL . 16.7 t -60.3 -54.11 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -54.51 -49.5 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.38 -49.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 21.5 m-85 -53.8 -42.6 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -67.66 -31.47 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -75.47 -28.94 59.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.19 124.63 45.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -63.08 -13.93 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -123.04 148.46 54.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 147.52 63.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 72.4 t -116.42 129.88 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -56.07 155.26 12.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.89 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -54.33 -61.49 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -53.94 -62.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.436 HD21 HG12 ' A' ' 852' ' ' VAL . 17.0 tp -41.31 -58.23 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -47.81 -50.86 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.23 -41.53 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.46 -47.69 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.99 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -43.82 -60.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 t -42.87 -59.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.57 -48.1 28.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 881' ' ' MET . 58.2 mt -54.68 -37.49 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.22 -13.37 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -88.33 32.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.85 48.61 22.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -124.5 -32.26 3.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 876' ' ' ILE . 82.6 mmm -150.25 146.75 26.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.98 144.86 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -78.78 132.18 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -67.57 114.75 6.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -40.39 -33.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.33 -66.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.6 t-20 -135.69 140.21 33.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.747 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.4 Cg_endo -69.81 -6.84 19.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.273 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -79.97 -12.72 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -108.66 140.65 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -133.28 139.04 46.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -109.12 155.69 20.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 68.9 t80 -82.81 135.02 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 881' ' ' MET . 4.8 pt -128.83 -41.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.423 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -35.45 143.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 28.7 t -95.32 147.91 22.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -75.76 146.25 33.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 86.33 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 86.8 p -84.38 133.25 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 66.3 m -69.19 -48.86 60.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 73.4 p -162.44 149.86 13.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.887 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.4 t -154.46 161.79 41.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -172.26 121.65 0.89 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 46.9 t -149.71 121.8 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 34.1 t -162.29 164.57 27.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 88.03 43.15 5.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.4 pt -72.47 153.92 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -98.27 164.91 12.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 2.4 ttt -115.74 154.64 29.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 811' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 811' ' ' LYS . 0.1 OUTLIER -55.36 97.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -134.87 157.5 46.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 90.4 m -158.94 135.79 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 815' ' ' GLU . 95.8 t -108.11 109.69 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 815' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 814' ' ' VAL . 16.3 pt-20 -36.78 135.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 817' ' ' GLN . 23.1 mm-40 -108.56 83.71 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 817' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 816' ' ' GLU . 74.4 mt-30 -34.59 -59.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -40.56 147.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.055 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 41.6 m -103.1 117.48 34.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 23.4 p -127.28 133.8 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 31.7 p -108.26 93.74 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -86.55 -55.08 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -48.39 -46.46 37.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.91 -52.62 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -54.43 -39.12 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 827' ' ' ASP . 28.1 mt-30 -68.55 -63.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 826' ' ' GLN . 5.6 t0 -34.45 -35.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 831' ' ' GLN . 20.3 tpp85 -65.76 -70.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 7.0 pt20 -40.91 -31.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.44 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 34.6 m-85 -78.23 -37.7 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 15.6 mt-30 -60.39 -47.03 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.694 HD12 ' H ' ' A' ' 832' ' ' ILE . 3.9 mp -72.74 -54.48 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 875' ' ' LEU . 23.5 t0 -54.08 -36.19 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.25 -50.1 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.04 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.659 HG23 HD11 ' A' ' 851' ' ' LEU . 57.3 mt -62.41 -59.02 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.25 -37.51 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -64.02 -43.06 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' A' ' 854' ' ' GLU . 43.9 mt -70.35 -57.04 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.602 ' SD ' HG22 ' A' ' 836' ' ' ILE . 5.3 mtt -55.44 -59.52 4.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 840' ' ' MET . 41.9 tttm -36.53 -58.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.6 mtt -62.6 -38.29 89.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 844' ' ' LYS . 36.2 mmt180 -93.98 96.9 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 843' ' ' ARG . 61.1 mmtt -36.72 -47.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.2 m -138.55 123.46 18.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' LEU . . . . . 0.437 HD22 HG22 ' A' ' 839' ' ' ILE . 9.5 tp -135.57 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 71.5 m -93.15 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -66.49 -38.56 87.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.47 -48.16 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.2 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.659 HD11 HG23 ' A' ' 836' ' ' ILE . 66.3 tp -68.82 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 853' ' ' SER . 33.8 m -45.57 -45.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.51 ' N ' HG23 ' A' ' 852' ' ' VAL . 13.2 t -54.64 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 854' ' ' GLU . . . . . 0.452 ' HB2' HD13 ' A' ' 839' ' ' ILE . 44.8 mm-40 -55.09 -46.68 75.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -52.08 -55.32 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.82 -40.85 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.34 -30.89 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -82.93 -36.48 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 21.0 mt -89.09 127.49 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.59 150.38 45.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 159.44 53.43 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.383 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.86 142.23 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -69.12 154.35 95.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -36.92 9.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -52.84 52.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 25.3 tp -45.24 -56.3 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -57.22 -46.1 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -55.98 -46.31 78.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 71.5 mt -54.8 -67.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -39.59 -57.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 38.8 t -48.49 -58.58 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.47 HD21 ' OD2' ' A' ' 833' ' ' ASP . 58.5 mt -47.97 -45.0 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 881' ' ' MET . 30.0 mt -57.09 -38.93 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.18 -14.27 55.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -84.82 23.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.83 49.51 7.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -124.84 -37.17 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.772 ' O ' HG23 ' A' ' 876' ' ' ILE . 80.1 mmm -144.63 146.36 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 7.5 pt-20 -115.89 141.35 48.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -77.66 117.29 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.38 117.51 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -43.95 -36.12 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 11.5 pt-20 -58.64 -43.32 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 25.9 p30 -165.92 143.73 4.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -0.21 6.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.406 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.89 -22.26 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -103.81 136.33 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -126.22 136.6 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 46.7 m-80 -108.17 153.28 23.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 38.0 t80 -83.5 134.01 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 895' ' ' ALA . 5.1 pt -127.74 -40.14 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.527 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -35.06 148.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 67.0 m -104.05 -42.02 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -160.47 -166.49 19.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -9.16 25.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 46.9 m -40.99 125.81 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 21.5 t -128.6 87.01 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 2.3 t -111.3 151.7 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 92.9 p -132.63 156.22 47.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 165.53 83.14 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 28.9 t -123.12 119.49 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 19.5 m -110.96 -55.2 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 42.26 -158.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 2.8 pp -127.62 161.8 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -172.65 134.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 14.3 ptm -91.34 117.78 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -124.19 176.82 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -41.84 162.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 26.5 p -103.0 151.71 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 32.8 m -109.56 144.81 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -153.47 116.07 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -100.05 118.29 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -106.1 116.64 32.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -167.75 168.28 12.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 43.7 m -50.49 168.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.8 p -38.12 103.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 824' ' ' VAL . 56.5 m -73.29 109.73 7.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -50.95 -45.11 60.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -39.12 -33.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 821' ' ' THR . 46.4 t -59.87 -47.95 89.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 825' ' ' PHE . 8.6 t80 -41.55 -46.27 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -72.75 -49.58 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -45.74 -40.47 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 829' ' ' GLN . 8.0 tmm_? -62.56 -72.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.8 pt20 -41.09 -32.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 15.3 m-85 -75.34 -49.12 20.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -52.03 -37.48 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 859' ' ' LEU . 3.2 mp -75.62 -65.79 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 837' ' ' VAL . 11.2 t0 -43.4 -40.73 3.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.45 -57.58 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.474 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -47.25 -36.66 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.525 HG23 HD11 ' A' ' 851' ' ' LEU . 51.1 mt -72.53 -65.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.59 HG22 HD22 ' A' ' 875' ' ' LEU . 97.2 t -46.06 -27.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -80.77 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 835' ' ' ALA . 23.7 mt -58.3 -49.24 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.479 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.6 mmm -57.91 -37.86 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 23.9 ttpp -62.68 -60.37 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 10.4 mmm -49.81 -35.61 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -101.56 102.26 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 844' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -39.76 -32.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 845' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 891' ' ' TYR . 38.7 m -151.99 131.2 12.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 846' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 851' ' ' LEU . 8.3 tp -143.48 159.17 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 24.9 m -108.84 178.73 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -59.03 -57.29 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -44.9 -63.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 850' ' ' LEU . 0.7 OUTLIER -59.21 -41.41 88.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.769 HD21 HG12 ' A' ' 872' ' ' ILE . 10.0 tp -51.45 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.551 HG12 HD21 ' A' ' 868' ' ' LEU . 23.4 m -52.71 -42.96 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 852' ' ' VAL . 6.7 t -50.42 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.58 -52.44 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 855' ' ' VAL . . . . . 0.428 HG21 HG12 ' A' ' 836' ' ' ILE . 36.9 t -48.0 -56.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -51.36 -45.78 62.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -56.87 -34.29 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -74.28 -32.38 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 859' ' ' LEU . 4.4 mt -97.18 120.38 37.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -2.09 36.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -118.37 149.34 45.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.78 48.78 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 864' ' ' LYS . 95.8 t -120.18 154.7 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 864' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 863' ' ' VAL . 4.4 mtpm? -79.14 150.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -41.35 4.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.85 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.28 -61.05 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.551 HD21 HG12 ' A' ' 852' ' ' VAL . 17.7 tp -39.31 -59.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -47.62 -54.71 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -51.64 -46.06 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -56.05 -47.24 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 872' ' ' ILE . . . . . 0.769 HG12 HD21 ' A' ' 851' ' ' LEU . 50.4 mt -54.91 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 873' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 874' ' ' SER . 7.2 mm-40 -44.91 -68.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 877' ' ' ASP . 2.5 t -38.46 -67.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.59 HD22 HG22 ' A' ' 837' ' ' VAL . 78.3 mt -39.92 -51.9 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.64 -31.2 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 877' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 874' ' ' SER . 2.3 m-20 -86.68 -7.27 58.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 878' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 878' ' ' ARG . 8.5 mmm180 -84.03 10.13 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 17.7 t70 74.44 25.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -104.68 -34.89 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 58.3 mmm -139.99 160.97 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -134.8 145.68 48.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -78.7 127.75 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 884' ' ' ASP . . . . . 0.54 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 38.3 t0 -56.27 114.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -40.83 -27.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.4 mt-10 -68.94 -57.07 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.426 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.1 t-20 -144.96 140.23 16.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 54.1 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -84.28 -3.83 58.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 890' ' ' GLN . . . . . 0.54 ' NE2' ' OD2' ' A' ' 884' ' ' ASP . 9.1 tt0 -117.31 150.79 38.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.463 ' O ' HG23 ' A' ' 845' ' ' THR . 20.0 m-85 -134.24 141.07 46.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -114.61 148.76 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 66.8 t80 -83.28 130.82 35.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 895' ' ' ALA . 2.9 pt -124.55 -38.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -36.8 132.59 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 1.8 t -95.51 93.28 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -65.57 175.34 16.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.9 4.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 56.0 m -41.29 103.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 5.6 t -89.21 -38.51 14.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 3.6 t -169.37 169.95 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 8.5 t -154.78 178.5 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -116.43 -154.31 10.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 1.3 t -169.77 176.79 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 27.3 p -165.94 172.0 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -178.43 165.83 35.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.62 HD13 ' H ' ' A' ' 808' ' ' ILE . 0.1 OUTLIER -133.7 171.32 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.759 0.314 . . . . 0.0 111.17 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -139.05 142.33 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.7 172.07 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.61 171.96 13.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -144.91 110.55 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 23.3 p -74.92 89.93 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.01 144.45 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.01 146.16 11.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.32 134.9 40.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -99.94 170.97 8.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -69.93 -51.98 28.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 58.4 m -42.02 143.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.6 m -56.3 88.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.527 ' HB ' HG12 ' A' ' 824' ' ' VAL . 7.6 m -70.57 159.82 33.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 821' ' ' THR . 9.2 mm-40 -82.98 -52.2 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 823' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 823' ' ' ARG . 4.4 tmm_? -51.34 -55.74 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.527 HG12 ' HB ' ' A' ' 821' ' ' THR . 12.6 p -47.37 -36.07 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -70.09 -56.68 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 828' ' ' ARG . 43.1 mt-30 -55.79 -23.3 29.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 826' ' ' GLN . 1.2 p-10 -35.32 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 826' ' ' GLN . 46.2 mtt85 -72.05 -68.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.5 pt20 -38.3 -32.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 44.6 m-85 -77.41 -45.61 25.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 828' ' ' ARG . 16.8 mm-40 -57.94 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.53 HD12 ' N ' ' A' ' 832' ' ' ILE . 2.3 mp -73.45 -55.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 837' ' ' VAL . 5.8 t0 -52.37 -41.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -64.45 -59.27 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.547 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -44.96 -37.67 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.718 HG23 HD11 ' A' ' 851' ' ' LEU . 56.8 mt -70.29 -70.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 833' ' ' ASP . 60.8 t -42.12 -35.74 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -70.67 -55.67 8.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.6 mt -53.82 -44.52 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.434 ' SD ' ' HE2' ' A' ' 881' ' ' MET . 3.4 mmt -58.4 -48.63 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -49.63 -58.33 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 3.8 mmt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.1 mmm180 -108.67 92.8 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.6 mptp? -35.18 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 845' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 890' ' ' GLN . 90.7 m -102.79 122.66 44.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.83 160.51 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.6 m -100.82 172.84 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -61.44 -58.18 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.28 -44.59 61.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.16 -35.78 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.718 HD11 HG23 ' A' ' 836' ' ' ILE . 44.8 tp -66.81 -67.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.629 HG12 HD21 ' A' ' 868' ' ' LEU . 5.2 m -44.55 -39.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 852' ' ' VAL . 29.9 t -59.98 -57.22 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.03 -52.15 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 36.4 t -47.32 -55.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 20.3 m-85 -53.36 -44.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.27 -33.21 69.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -78.86 -35.95 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.7 139.37 32.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -84.8 -17.91 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -117.49 147.24 40.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 141.5 45.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 94.3 t -119.83 134.15 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -63.53 155.99 73.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.06 24.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.52 -66.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.16 -48.0 83.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.629 HD21 HG12 ' A' ' 852' ' ' VAL . 23.8 tp -49.48 -56.45 9.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -51.36 -56.88 10.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -48.28 -43.26 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.81 -49.75 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 62.9 mt -54.64 -67.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -41.07 -60.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 877' ' ' ASP . 4.2 t -44.99 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.41 HD21 ' OD2' ' A' ' 833' ' ' ASP . 38.9 mt -38.91 -48.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 881' ' ' MET . 69.8 mt -56.04 -37.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 877' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 874' ' ' SER . 1.8 t70 -81.84 -9.86 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 878' ' ' ARG . . . . . 0.453 ' HB2' ' CD2' ' A' ' 880' ' ' TYR . 11.6 mmm180 -82.64 19.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 62.39 29.11 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 880' ' ' TYR . . . . . 0.453 ' CD2' ' HB2' ' A' ' 878' ' ' ARG . 22.4 m-85 -108.26 -38.69 5.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.6 ' O ' HG23 ' A' ' 876' ' ' ILE . 96.9 mmm -135.48 146.23 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.78 139.51 51.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -76.07 117.48 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -51.77 130.0 27.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -52.13 -42.7 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 8.6 pt-20 -52.89 -43.14 65.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.48 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 32.0 m-80 -167.16 142.93 3.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.96 17.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -75.87 -19.32 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 890' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 845' ' ' THR . 14.4 tt0 -109.82 131.69 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -118.11 144.08 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -115.63 158.35 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.866 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 64.9 t80 -86.22 130.79 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.5 pt -124.26 -31.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.866 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -34.66 129.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 35.5 t -108.38 123.72 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -147.42 163.89 28.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 134.08 27.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 36.8 p -43.57 -46.09 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 78.2 p -113.09 127.51 56.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 801' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 802' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 801' ' ' GLY . 1.8 m 34.92 50.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.892 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 90.4 p -78.96 158.75 27.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.75 100.71 2.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 19.0 m -150.05 168.54 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 14.0 m -132.04 137.39 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -151.4 49.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 42.5 mm -134.19 111.15 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -111.5 153.38 26.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.24 176.04 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.96 118.23 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -130.43 162.51 28.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 62.8 m -64.24 146.65 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 14.4 p -128.28 137.39 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -103.44 151.0 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -92.05 140.44 29.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -120.78 95.75 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -39.95 -56.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 66.4 m -57.31 150.09 18.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 72.4 p -51.64 144.87 10.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 822' ' ' GLU . 19.2 m -158.8 162.44 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.148 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.529 ' N ' HG22 ' A' ' 821' ' ' THR . 16.2 mt-10 -96.94 -41.87 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -56.07 -43.67 78.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.86 -20.2 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.22 -46.09 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -55.33 -40.08 70.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -41.07 -35.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -66.47 -67.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.8 pt20 -41.86 -30.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.3 m-85 -76.56 -48.76 18.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -55.89 -37.64 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.536 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.0 mp -73.95 -56.07 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.88 -34.35 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.44 -54.08 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -39.99 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.703 HG23 HD11 ' A' ' 851' ' ' LEU . 48.8 mt -67.82 -56.58 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.35 -31.58 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -72.83 -53.79 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 854' ' ' GLU . 26.9 mt -58.98 -53.69 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 4.4 mmm -52.21 -59.04 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 64.8 tttt -42.89 -62.21 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.0 mmt -50.95 -38.27 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.8 mmm180 -99.58 94.96 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 30.5 mmtp -34.33 -44.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 845' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 891' ' ' TYR . 31.7 m -139.68 131.2 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.0 tp -146.38 157.93 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 77.7 p -105.13 -178.97 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -64.12 -63.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.94 -56.57 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.55 -44.01 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.703 HD11 HG23 ' A' ' 836' ' ' ILE . 14.4 tp -55.21 -71.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 853' ' ' SER . 12.2 m -45.14 -43.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.6 t -54.93 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 854' ' ' GLU . . . . . 0.508 ' HB2' HD13 ' A' ' 839' ' ' ILE . 35.8 mm-40 -48.93 -53.87 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 49.4 t -47.49 -53.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -51.85 -41.26 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -66.95 -30.15 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -76.66 -37.82 55.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.1 131.4 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -70.92 -20.26 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -112.19 146.44 34.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.52 48.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.23 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.5 t -117.93 134.58 61.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -61.78 153.53 71.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.14 21.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.25 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.72 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.67 -53.56 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 17.9 tp -52.33 -56.52 14.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.35 -56.81 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -52.06 -53.94 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.536 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.7 mmp_? -47.99 -50.9 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 872' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 851' ' ' LEU . 59.9 mt -53.32 -68.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.13 -52.91 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.446 ' C ' ' HD3' ' A' ' 878' ' ' ARG . 57.9 m -48.19 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 42.0 mt -41.12 -44.83 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 881' ' ' MET . 33.4 mt -58.36 -38.25 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 877' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 874' ' ' SER . 12.5 t0 -82.42 -16.71 48.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 878' ' ' ARG . . . . . 0.446 ' HD3' ' C ' ' A' ' 874' ' ' SER . 1.9 mpt_? -81.53 12.7 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 68.51 42.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -119.33 -29.91 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.576 ' O ' HG23 ' A' ' 876' ' ' ILE . 91.1 mmm -146.43 150.94 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.26 140.53 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 883' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 883' ' ' ARG . 24.9 mtm105 -77.25 146.99 36.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -82.84 123.97 29.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -46.17 -31.21 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.6 pt-20 -63.22 -45.11 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.477 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 70.5 m-20 -161.97 143.28 8.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.445 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.3 Cg_endo -69.8 -14.49 36.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.88 -20.77 61.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -101.94 143.1 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.518 ' O ' HG23 ' A' ' 845' ' ' THR . 13.8 m-85 -134.89 152.65 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.444 ' O ' ' HE3' ' A' ' 881' ' ' MET . 18.8 m-80 -120.19 165.08 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 53.6 t80 -92.26 121.23 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 895' ' ' ALA . 8.3 pt -115.92 -41.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.447 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -35.64 143.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 2.2 t -111.34 123.53 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -72.8 -157.38 3.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.0 36.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 89.5 p -59.97 121.11 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 2.7 t -39.88 -54.6 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 99.0 p -159.61 166.29 31.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 34.9 p -155.71 159.78 39.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -124.6 -174.97 14.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 2.9 t -150.56 170.0 20.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 55.1 p -119.36 -49.4 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 95.27 160.06 33.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 808' ' ' ILE . 2.7 pp -115.33 167.79 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -118.17 104.49 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -100.57 161.21 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 811' ' ' LYS . 0.0 OUTLIER -170.82 158.8 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.96 149.1 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 54.7 p -56.4 170.39 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 86.1 t -123.1 132.62 71.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.84 134.61 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -144.3 148.82 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -53.81 -44.8 70.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -74.0 127.0 31.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 24.8 m -57.22 137.46 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 13.8 t -93.25 146.39 23.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 20.6 p -51.93 133.93 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -87.78 -59.01 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 825' ' ' PHE . 37.5 ttm-85 -53.91 -55.18 29.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 69.9 t -39.25 -25.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 823' ' ' ARG . 81.8 t80 -84.69 -68.86 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 827' ' ' ASP . 0.0 OUTLIER -48.63 -44.93 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.5 ' N ' ' OE1' ' A' ' 826' ' ' GLN . 5.2 t70 -52.41 -44.78 65.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -56.44 -66.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 10.0 pt20 -44.23 -32.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.482 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 25.1 m-85 -77.78 -39.41 44.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -58.41 -49.67 76.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.619 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.3 mp -68.76 -53.08 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.455 ' OD2' HD21 ' A' ' 875' ' ' LEU . 12.8 t0 -55.48 -40.35 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.51 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.413 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -56.62 -39.21 73.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.583 HG23 HD11 ' A' ' 851' ' ' LEU . 75.1 mt -64.91 -67.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 92.3 t -40.42 -45.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -61.41 -47.14 87.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 835' ' ' ALA . 18.9 mt -63.95 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE3' ' HG3' ' A' ' 881' ' ' MET . 3.5 mmt -55.06 -49.77 70.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -49.88 -63.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.7 mtt -55.44 -40.56 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 63.5 mmt-85 -103.81 85.61 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -34.25 -66.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.2 m -109.05 126.74 53.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 850' ' ' LEU . 8.6 tp -146.06 153.78 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 72.6 m -101.21 147.59 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -38.46 -45.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -45.15 -65.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 846' ' ' LEU . 9.7 mp -62.5 -45.84 91.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.583 HD11 HG23 ' A' ' 836' ' ' ILE . 24.4 tp -40.31 -62.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 1.136 HG12 HD21 ' A' ' 868' ' ' LEU . 28.1 m -60.66 -43.13 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.9 m -50.21 -55.24 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -54.76 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 61.0 t -42.43 -53.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' ' 852' ' ' VAL . 35.7 m-85 -57.79 -41.64 82.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -62.6 -30.52 71.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -82.09 -39.31 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.41 130.16 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -71.13 -27.57 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -105.5 147.03 33.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.03 59.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.632 2.221 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.6 131.87 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.57 158.36 31.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -44.36 -62.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 867' ' ' ASP . . . . . 0.458 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 6.4 m-20 -54.41 -59.5 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 1.136 HD21 HG12 ' A' ' 852' ' ' VAL . 15.5 tp -41.55 -59.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -46.08 -51.44 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 870' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 51.6 mtmt -55.74 -44.76 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 5.7 mmp_? -59.84 -52.13 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 872' ' ' ILE . . . . . 0.439 HG12 HD21 ' A' ' 851' ' ' LEU . 56.8 mt -57.53 -64.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -47.34 -58.04 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 8.7 t -47.79 -58.21 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.455 HD21 ' OD2' ' A' ' 833' ' ' ASP . 47.3 mt -47.34 -51.56 19.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 881' ' ' MET . 65.8 mt -51.81 -40.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.57 -14.09 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 878' ' ' ARG . . . . . 0.465 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 51.0 mtt180 -84.64 29.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.2 t70 54.27 47.58 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 880' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 41.0 m-85 -124.62 -39.26 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.659 ' O ' HG23 ' A' ' 876' ' ' ILE . 94.7 mmm -138.91 154.25 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.1 pt-20 -126.86 137.14 53.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -75.97 115.82 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.89 123.42 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -45.54 -47.86 14.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 6.6 pt-20 -45.87 -37.56 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 9.1 m120 -173.43 142.06 0.95 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.725 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.6 3.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -82.32 -35.47 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.93 134.31 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -118.66 150.55 39.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.445 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 14.4 m-80 -120.57 153.65 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -84.67 115.64 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 895' ' ' ALA . 11.0 pt -109.25 -41.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 880' ' ' TYR . . . -36.13 -55.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 9.5 t 50.93 42.51 28.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -136.61 145.79 17.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 144.32 53.82 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 3.9 m -115.53 176.84 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 51.9 m -154.7 162.77 40.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.525 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 95.1 p -171.39 159.76 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 2.2 m -170.7 176.11 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -136.9 170.24 23.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 2.1 m -173.73 176.52 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 82.9 p -163.47 164.13 24.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -178.15 176.39 47.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 32.9 mt -135.21 137.66 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -125.39 139.98 53.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -174.48 149.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -164.88 149.56 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.32 129.51 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 24.0 m -130.0 151.11 50.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 2.8 p -102.92 144.07 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -142.07 142.59 32.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -53.91 103.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -129.68 141.96 50.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -71.51 176.08 5.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 50.7 m -77.6 104.98 8.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 9.1 t -90.42 141.65 28.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 81.1 p -69.78 101.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -99.67 -51.93 3.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -42.15 -52.7 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 825' ' ' PHE . 7.8 p -49.46 -43.45 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.465 ' N ' HG13 ' A' ' 824' ' ' VAL . 5.5 t80 -63.3 -52.6 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.516 ' O ' ' CD2' ' A' ' 830' ' ' TYR . 95.8 mt-30 -40.12 -39.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.08 -54.13 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 831' ' ' GLN . 44.2 mmm-85 -52.88 -69.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.6 pt20 -39.74 -38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 826' ' ' GLN . 10.1 m-85 -67.61 -43.2 81.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 828' ' ' ARG . 45.2 mm-40 -57.08 -48.58 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.0 mp -70.82 -55.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 837' ' ' VAL . 26.2 t0 -55.01 -35.03 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.91 -53.68 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.85 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.98 HG23 HD11 ' A' ' 851' ' ' LEU . 72.6 mt -61.28 -57.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 833' ' ' ASP . 96.8 t -53.9 -48.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -53.31 -61.59 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.559 HD13 ' CB ' ' A' ' 854' ' ' GLU . 31.6 mt -52.69 -47.92 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.577 ' SD ' HG22 ' A' ' 836' ' ' ILE . 14.7 mtt -56.1 -61.98 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 6.2 ttpm? -39.32 -65.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 28.0 mmt -48.12 -38.41 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 49.4 mmt-85 -100.97 92.95 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.6 mmtm -34.33 -43.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 97.2 m -139.86 125.04 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 11.6 tp -137.91 155.27 49.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 37.1 p -93.83 171.56 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -64.63 -46.7 81.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -56.25 -55.44 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.16 -32.84 73.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.98 HD11 HG23 ' A' ' 836' ' ' ILE . 18.4 tp -66.08 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.437 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 17.2 m -48.18 -39.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.1 t -60.3 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 854' ' ' GLU . . . . . 0.559 ' CB ' HD13 ' A' ' 839' ' ' ILE . 42.1 mm-40 -47.07 -49.3 21.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.24 -56.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.592 ' OH ' HD22 ' A' ' 868' ' ' LEU . 28.7 m-85 -52.19 -41.7 62.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -62.16 -34.51 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -75.85 -37.58 58.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.95 139.92 29.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.39 -25.29 54.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -112.81 147.81 37.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.61 62.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.3 t -124.25 126.22 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -52.68 158.93 1.91 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.24 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -50.48 -59.45 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.83 -64.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.592 HD22 ' OH ' ' A' ' 856' ' ' TYR . 14.3 tp -38.2 -51.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -55.17 -47.26 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -54.64 -55.99 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -48.34 -44.72 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.69 -58.48 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -52.83 -55.96 19.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 16.9 m -46.01 -53.49 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.587 HD21 ' OD1' ' A' ' 833' ' ' ASP . 42.6 mt -52.34 -52.9 50.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 881' ' ' MET . 73.1 mt -51.4 -39.22 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -75.4 -20.98 58.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -83.14 12.18 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 45.6 t0 69.24 34.17 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.27 -32.91 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 876' ' ' ILE . 75.0 mmm -147.42 160.11 42.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 10.4 pt-20 -129.84 148.85 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 883' ' ' ARG . . . . . 0.453 ' NE ' ' HB3' ' A' ' 888' ' ' PRO . 5.3 mtp-105 -76.48 111.23 11.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 884' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 886' ' ' GLU . 62.3 t0 -51.69 120.2 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 884' ' ' ASP . 6.7 mt-10 -70.05 -44.06 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 884' ' ' ASP . 54.8 m-20 -168.99 152.36 5.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.695 0.759 . . . . 0.0 110.828 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.541 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.1 Cg_endo -69.77 -21.43 33.45 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.8 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -92.4 129.29 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.541 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 21.6 m-85 -116.22 138.04 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.446 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 4.0 m-80 -105.13 148.54 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 895' ' ' ALA . 10.4 t80 -80.28 128.49 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.59 -26.76 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.193 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . -67.32 88.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 5.3 t -46.86 -29.12 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . 157.73 -161.83 31.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -166.4 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.385 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 14.8 m -69.51 83.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 47.1 t -117.8 145.39 44.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 5.0 t -111.54 42.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.2 m -152.59 154.7 35.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -106.53 -172.69 23.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 15.8 t -160.53 123.24 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 19.9 m -63.29 155.38 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -91.22 148.18 19.21 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.434 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 808' ' ' ILE . 2.7 pp -77.28 149.38 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -107.54 162.6 13.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.71 130.26 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -158.77 133.41 8.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -162.47 113.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 44.4 p -110.46 155.47 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 90.0 t -107.27 121.49 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -161.61 121.86 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -112.97 82.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -150.64 151.01 31.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -94.72 105.16 17.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 1.2 t -173.05 121.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 51.7 m -61.8 135.62 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.133 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 822' ' ' GLU . 27.8 m -147.93 144.05 27.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 821' ' ' THR . 28.0 tp10 -34.57 -58.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -54.39 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 90.7 t -48.78 -45.47 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -52.67 -53.63 44.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 827' ' ' ASP . 11.6 mm-40 -41.99 -55.85 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 826' ' ' GLN . 10.6 t70 -34.5 -36.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 826' ' ' GLN . 22.0 ttm-85 -67.55 -70.4 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.6 pt20 -39.51 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.2 m-85 -74.26 -45.26 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.435 ' HB3' HD22 ' A' ' 859' ' ' LEU . 56.5 mm-40 -55.29 -43.65 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.556 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.2 mp -69.14 -57.51 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.727 ' OD1' HD21 ' A' ' 875' ' ' LEU . 2.0 t0 -50.45 -51.55 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.14 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.411 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -60.81 -44.22 97.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.644 HG23 HD11 ' A' ' 851' ' ' LEU . 90.7 mt -61.33 -59.42 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 83.8 t -47.83 -50.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -56.2 -53.84 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 835' ' ' ALA . 18.8 mt -55.98 -60.71 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.554 ' SD ' HG22 ' A' ' 836' ' ' ILE . 7.8 mtt -53.8 -60.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 840' ' ' MET . 46.9 tttt -35.41 -52.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.15 -40.32 90.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.7 mmm180 -99.06 95.77 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.0 OUTLIER -34.33 -55.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.5 m -124.52 134.44 53.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.1 tp -148.59 149.36 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 52.0 p -91.64 172.83 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.14 -60.14 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -44.53 -54.25 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.37 -42.48 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.644 HD11 HG23 ' A' ' 836' ' ' ILE . 49.1 tp -55.8 -62.41 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 853' ' ' SER . 34.1 m -52.51 -41.28 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 852' ' ' VAL . 45.3 t -52.03 -60.73 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -51.74 -55.21 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.41 -55.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -56.51 -44.93 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -52.9 -34.26 54.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -82.59 -39.82 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 15.7 mt -88.05 115.74 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -85.61 26.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 861' ' ' PHE . . . . . 0.716 ' CE2' HG22 ' A' ' 863' ' ' VAL . 13.4 p90 -136.4 152.91 75.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.8 28.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.716 HG22 ' CE2' ' A' ' 861' ' ' PHE . 95.4 t -130.39 118.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -49.84 154.81 1.68 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.05 8.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.11 -52.67 62.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.5 -58.58 7.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.99 -57.32 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -54.04 -54.03 44.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -47.77 -53.48 15.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 829' ' ' GLN . 31.2 mmm180 -53.53 -49.31 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.01 -52.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -53.64 -60.44 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 61.6 m -41.24 -54.46 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.727 HD21 ' OD1' ' A' ' 833' ' ' ASP . 31.3 mt -51.41 -53.39 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 78.5 mt -48.82 -46.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.34 -12.64 60.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 878' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 34.1 mtt180 -86.14 31.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.66 48.21 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 880' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.9 m-85 -125.37 -37.74 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.546 ' HE1' ' HB3' ' A' ' 840' ' ' MET . 78.2 mmm -141.8 161.38 38.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.6 pt-20 -130.94 137.71 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -76.01 119.75 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -53.58 123.93 13.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -45.99 -35.57 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.35 -49.51 71.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.2 t-20 -156.54 139.83 11.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.5 Cg_endo -69.75 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -72.98 -39.95 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.19 116.09 28.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -100.19 149.32 23.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 54.4 m-20 -117.72 148.76 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 22.6 t80 -81.48 127.41 32.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 5.2 pt -120.43 -34.49 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -54.62 159.46 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 89.4 p -140.41 113.27 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -100.54 143.38 16.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 97.02 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.316 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 29.0 t -55.78 130.8 44.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 34.9 p -124.3 126.8 46.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 20.7 t -44.21 109.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 70.4 p -86.56 149.32 25.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 136.67 53.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 38.5 t -87.5 141.71 28.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 72.5 p -118.67 177.47 4.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 177.8 89.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' ILE . . . . . 0.557 ' C ' HD12 ' A' ' 808' ' ' ILE . 2.6 pp -65.43 172.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -145.62 117.85 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 27.6 mmt -54.5 146.76 15.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.49 122.06 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -118.11 112.03 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 7.6 p -77.1 -5.8 50.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 87.2 t -139.54 112.43 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.69 153.99 18.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -106.11 -46.92 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -139.76 143.98 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -56.08 98.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 59.1 m -73.18 131.93 42.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 65.3 p -69.18 110.96 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 22.5 m -140.18 141.07 36.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 824' ' ' VAL . 30.6 mt-10 -71.64 -43.88 65.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 823' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 823' ' ' ARG . 5.5 mmm180 -36.77 -33.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 822' ' ' GLU . 3.4 t -65.15 -56.36 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -50.27 -21.59 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 827' ' ' ASP . 55.8 mt-30 -92.79 -43.62 8.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 826' ' ' GLN . 3.0 t70 -35.07 -35.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 832' ' ' ILE . 68.7 mtm180 -72.01 -74.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.0 pt20 -39.49 -38.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.407 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 28.6 m-85 -72.46 -38.42 68.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 828' ' ' ARG . 6.8 mm-40 -60.93 -45.68 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.663 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.2 mp -69.06 -55.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.5 ' CG ' HD21 ' A' ' 875' ' ' LEU . 7.5 t0 -56.17 -40.4 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -61.35 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.13 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.623 HG23 HD11 ' A' ' 851' ' ' LEU . 54.4 mt -60.9 -66.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.575 HG22 HD22 ' A' ' 875' ' ' LEU . 99.4 t -45.59 -36.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.86 -56.43 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.439 HD13 ' CB ' ' A' ' 854' ' ' GLU . 39.7 mt -54.95 -55.23 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.461 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.2 mmm -51.2 -48.25 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -50.99 -52.75 39.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.481 ' HG3' HD13 ' A' ' 846' ' ' LEU . 15.3 mmm180 -91.81 94.68 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.0 mmmp? -34.78 -36.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 845' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 891' ' ' TYR . 89.2 m -146.61 124.14 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 846' ' ' LEU . . . . . 0.481 HD13 ' HG3' ' A' ' 843' ' ' ARG . 6.0 tp -139.99 152.51 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.2 t -102.01 -178.48 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -63.13 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -41.43 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 -38.96 86.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.623 HD11 HG23 ' A' ' 836' ' ' ILE . 33.9 tp -61.23 -68.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.8 HG12 HD21 ' A' ' 868' ' ' LEU . 32.8 m -44.04 -42.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.1 t -54.92 -60.19 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 854' ' ' GLU . . . . . 0.439 ' CB ' HD13 ' A' ' 839' ' ' ILE . 20.9 mm-40 -51.77 -53.83 35.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -47.37 -52.96 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 27.7 m-85 -53.85 -41.83 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -64.04 -29.45 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -79.64 -41.58 26.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 15.1 mt -86.3 132.13 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -74.0 -15.54 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -119.87 146.31 41.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.61 54.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 79.4 t -111.54 141.73 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -64.72 156.11 79.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.33 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.26 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -53.95 -66.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 867' ' ' ASP . . . . . 0.413 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 34.4 m-20 -52.11 -55.73 18.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.8 HD21 HG12 ' A' ' 852' ' ' VAL . 14.2 tp -44.81 -51.13 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -54.53 -56.3 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 870' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 33.7 mtmt -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -54.35 -46.37 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.3 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.93 -61.4 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 877' ' ' ASP . 47.4 p -42.56 -67.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.575 HD22 HG22 ' A' ' 837' ' ' VAL . 59.9 mt -39.36 -51.31 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.95 -36.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 877' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 874' ' ' SER . 5.1 t70 -84.8 -9.23 58.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -80.26 12.92 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 879' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 879' ' ' ASP . 0.4 OUTLIER 68.58 35.08 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 880' ' ' TYR . . . . . 0.455 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 23.2 m-85 -116.99 -33.95 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 90.7 mmm -135.84 166.55 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.2 pt-20 -142.63 139.94 31.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -76.06 121.77 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 884' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 886' ' ' GLU . 45.5 t0 -49.07 112.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 885' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 884' ' ' ASP . 17.9 mmtm -37.55 -28.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.7 mt-10 -69.51 -60.94 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -143.48 140.9 18.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.74 7.35 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.16 -23.48 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -107.5 143.12 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 845' ' ' THR . 8.9 m-85 -123.65 145.8 48.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.46 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 25.2 m-80 -117.22 160.61 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 55.1 t80 -90.52 132.85 35.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.455 ' CG1' ' C ' ' A' ' 880' ' ' TYR . 1.7 pt -123.73 -42.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.565 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -36.65 128.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 65.2 m -99.21 87.36 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -112.71 146.23 18.27 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 112.38 3.07 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 39.4 t -61.63 135.05 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 45.0 m -144.5 124.0 13.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 11.9 t -128.2 172.49 10.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 37.1 t -65.37 156.23 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 131.43 -42.12 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 47.6 t -94.26 -59.03 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 3.1 m -85.15 105.63 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.808 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -144.81 85.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.63 105.0 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 0.0 111.095 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -167.96 129.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 11.2 tpp -150.86 123.27 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.33 87.32 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -113.22 116.1 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 74.9 p -126.97 130.46 50.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 33.1 m -121.11 40.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -148.7 147.63 29.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -110.8 109.91 20.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -129.36 104.4 7.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -96.26 83.85 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 34.2 m -148.01 174.64 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 90.2 m -103.08 96.95 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 822' ' ' GLU . 1.6 t -110.68 172.71 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 821' ' ' THR . 36.9 mt-10 -34.55 -64.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 823' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 823' ' ' ARG . 19.6 mtm105 -47.91 -54.47 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 825' ' ' PHE . 97.2 t -52.92 -59.6 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 824' ' ' VAL . 1.9 t80 -35.7 -51.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 827' ' ' ASP . 22.6 mt-30 -68.12 -54.3 19.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 826' ' ' GLN . 4.3 m-20 -36.61 -35.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 831' ' ' GLN . 11.1 mmt85 -67.15 -72.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 2.0 pt20 -39.58 -30.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.463 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -78.02 -39.54 41.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 828' ' ' ARG . 26.8 mm-40 -61.13 -46.31 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.579 HD12 ' N ' ' A' ' 832' ' ' ILE . 3.0 mp -70.77 -54.97 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -57.31 -40.51 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 834' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -59.85 -57.95 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -51.03 -37.13 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.488 HG22 ' SD ' ' A' ' 840' ' ' MET . 71.9 mt -67.21 -63.68 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.79 -46.02 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -61.08 -64.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 835' ' ' ALA . 24.9 mt -45.99 -56.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.488 ' SD ' HG22 ' A' ' 836' ' ' ILE . 22.3 mtt -51.96 -57.78 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 893' ' ' TYR . 27.6 tptt -37.41 -64.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 16.5 mmt -54.96 -43.8 73.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.9 mmp_? -97.38 94.47 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 844' ' ' LYS . 0.0 OUTLIER -35.02 -53.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 845' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 891' ' ' TYR . 91.2 m -125.99 135.65 52.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.3 tp -147.25 149.83 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 848' ' ' HIS . 71.3 p -103.59 150.58 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 848' ' ' HIS . . . . . 0.645 ' NE2' HG11 ' A' ' 852' ' ' VAL . 25.7 t60 -35.42 -53.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -45.49 -57.65 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 850' ' ' LEU . 3.5 mm? -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.479 HD11 HG23 ' A' ' 836' ' ' ILE . 57.0 tp -46.55 -72.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.645 HG11 ' NE2' ' A' ' 848' ' ' HIS . 16.1 m -45.11 -44.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 852' ' ' VAL . 5.6 t -55.99 -65.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -49.4 -47.36 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 52.9 t -49.27 -53.37 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 35.1 m-85 -55.45 -42.87 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.86 -32.01 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -83.44 -36.89 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.29 128.62 35.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -28.21 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -113.06 151.12 43.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 69.8 t -124.89 134.86 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.7 158.89 28.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.7 10.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.74 -60.45 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.39 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 60.8 tp -43.56 -56.34 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -60.97 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.41 -42.84 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.414 ' HG3' HG21 ' A' ' 832' ' ' ILE . 13.1 mmp_? -63.23 -50.08 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.04 -62.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -46.71 -59.11 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 m -41.75 -59.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 836' ' ' ILE . 34.7 mt -45.96 -50.01 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 881' ' ' MET . 57.9 mt -53.56 -39.56 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.7 -17.29 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -80.26 11.07 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 69.34 46.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -120.13 -34.31 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.56 ' O ' HG23 ' A' ' 876' ' ' ILE . 52.6 mmm -142.02 150.25 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -117.41 137.0 52.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -76.08 115.38 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.42 126.4 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 885' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 886' ' ' GLU . 0.0 OUTLIER -47.99 -30.23 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.471 ' HG3' ' ND2' ' A' ' 887' ' ' ASN . 6.5 pt-20 -63.74 -42.95 97.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 886' ' ' GLU . 17.8 p30 -169.02 143.46 2.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -4.36 13.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -75.65 -27.35 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -99.47 133.63 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.434 ' CE1' HD11 ' A' ' 876' ' ' ILE . 22.0 m-85 -119.66 141.33 49.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -115.12 149.8 37.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.582 ' CE2' ' HD2' ' A' ' 841' ' ' LYS . 6.9 t80 -80.07 126.48 31.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 3.7 pt -120.51 -33.19 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.417 ' O ' ' CE2' ' A' ' 893' ' ' TYR . . . -67.6 142.01 56.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 3.6 t -89.38 -54.88 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . 135.23 -95.17 0.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 90.51 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.326 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 77.2 p -158.81 160.15 35.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 93.3 p -158.17 162.6 37.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 34.7 t -164.25 146.7 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 8.5 t -50.95 127.89 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -171.5 -140.87 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 26.3 m 59.59 42.41 17.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 57.1 p -53.58 117.06 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 68.3 -150.98 51.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.4 pt -125.32 41.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -53.75 158.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 12.0 mmt -135.37 142.18 45.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -113.68 143.07 45.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -92.53 175.62 6.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 55.0 p -120.55 141.94 49.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 814' ' ' VAL . 32.6 m -105.91 125.62 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -76.38 94.96 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -138.4 153.37 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -117.48 102.16 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -126.89 168.12 14.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 88.9 p -82.54 -52.59 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 68.4 p -88.63 129.99 35.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 824' ' ' VAL . 10.1 t -149.42 -179.8 7.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -101.02 -38.89 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -59.65 -22.26 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.441 ' H ' HG23 ' A' ' 821' ' ' THR . 8.8 p -72.23 -6.94 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 825' ' ' PHE . 1.7 t80 -83.64 -41.22 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 827' ' ' ASP . 31.9 mm-40 -65.48 -53.59 40.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 826' ' ' GLN . 5.5 t0 -34.24 -37.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 831' ' ' GLN . 21.4 ttp180 -61.24 -72.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -39.57 -33.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.477 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.5 m-85 -72.31 -39.46 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 828' ' ' ARG . 31.7 mt-30 -64.31 -32.01 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.664 HG21 ' HG3' ' A' ' 871' ' ' ARG . 2.2 mp -73.59 -60.1 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.483 ' O ' HG23 ' A' ' 837' ' ' VAL . 0.1 OUTLIER -53.35 -45.48 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 834' ' ' ALA . . . . . 0.479 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.92 -55.66 32.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.459 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -52.48 -43.61 65.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 851' ' ' LEU . 81.2 mt -59.02 -58.94 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 833' ' ' ASP . 78.8 t -48.78 -53.56 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -55.39 -57.87 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.7 mt -50.24 -59.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.561 ' HE1' HD22 ' A' ' 851' ' ' LEU . 2.5 mmt -53.05 -43.22 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 3.1 ttmp? -53.49 -59.7 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 84.4 mmm -55.51 -41.88 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.2 mmm180 -95.24 97.93 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 31.4 mmtm -34.49 -51.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 98.8 m -133.14 133.16 42.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 846' ' ' LEU . . . . . 0.448 ' HG ' ' CB ' ' A' ' 850' ' ' LEU . 9.5 tp -141.23 146.09 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 847' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 848' ' ' HIS . 70.4 m -94.08 147.67 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 848' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 847' ' ' SER . 45.7 t-80 -34.88 -55.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.17 -51.48 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 846' ' ' LEU . 3.7 mm? -61.43 -34.5 75.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.561 HD22 ' HE1' ' A' ' 840' ' ' MET . 25.5 tp -64.51 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.408 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 35.5 m -47.51 -38.19 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.5 t -61.94 -57.2 12.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 854' ' ' GLU . . . . . 0.429 ' CB ' HG21 ' A' ' 839' ' ' ILE . 13.1 mm-40 -52.11 -56.51 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.92 -57.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 18.1 m-85 -50.49 -38.96 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -62.83 -35.98 81.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -79.71 -30.08 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 859' ' ' LEU . 5.5 mt -100.94 118.55 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 15.25 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -133.28 150.19 74.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 140.46 42.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 75.7 t -120.81 122.13 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -48.02 153.13 1.24 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.549 0.69 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.81 18.01 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.677 2.251 . . . . 0.0 112.399 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.84 70.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.35 -47.88 66.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.95 -62.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 869' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 872' ' ' ILE . 1.1 mmmm -52.34 -50.62 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -52.31 -48.28 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.664 ' HG3' HG21 ' A' ' 832' ' ' ILE . 10.2 mmp_? -56.79 -42.15 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 872' ' ' ILE . . . . . 0.559 HG12 HD21 ' A' ' 851' ' ' LEU . 64.7 mt -62.02 -64.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -48.8 -60.48 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 877' ' ' ASP . 16.3 p -42.03 -66.74 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 837' ' ' VAL . 42.8 mt -38.99 -51.57 1.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.892 HG23 ' O ' ' A' ' 881' ' ' MET . 78.8 mt -53.39 -37.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 877' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 874' ' ' SER . 38.6 t70 -77.28 -17.5 58.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 878' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 880' ' ' TYR . 1.0 OUTLIER -84.56 26.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 39.0 t70 56.29 31.95 19.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 880' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 878' ' ' ARG . 17.7 m-85 -100.97 -37.11 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.892 ' O ' HG23 ' A' ' 876' ' ' ILE . 73.6 mmm -146.76 142.74 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.39 139.86 49.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -77.28 137.08 38.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -81.17 147.69 29.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -72.1 -40.56 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.4 pt-20 -48.55 -38.4 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 8.6 m120 -162.28 136.66 5.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -4.26 13.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.57 25.29 8.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -130.83 123.74 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.29 131.02 56.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -104.18 151.19 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.49 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 61.0 t80 -84.18 130.51 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.41 -36.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.436 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . -43.94 108.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 60.8 m -91.96 30.77 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -68.64 149.61 49.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 135.94 31.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 57.8 p -105.31 147.75 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 3.1 m -40.64 -54.99 2.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.3 t -88.79 140.02 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.816 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 16.8 t -138.77 159.5 41.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 45.2 -140.76 4.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 3.7 m 50.21 42.05 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 30.0 t -98.91 -44.3 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 177.05 107.98 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.7 pt -66.21 146.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.74 0.305 . . . . 0.0 111.113 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -80.47 106.49 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -127.38 106.2 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -98.54 89.23 4.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -102.27 145.96 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.2 t -115.65 146.22 42.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.86 132.77 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -105.84 171.28 7.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 817' ' ' GLN . 9.6 pt-20 -99.46 -41.72 7.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' GLN . . . . . 0.446 ' N ' ' HG3' ' A' ' 816' ' ' GLU . 24.3 mt-30 -127.89 163.83 23.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -165.91 155.38 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.046 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 44.6 t -99.36 84.87 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 31.4 m -125.02 124.91 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.589 ' O ' HG12 ' A' ' 824' ' ' VAL . 85.7 m -105.78 145.38 31.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -66.22 -45.48 80.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 823' ' ' ARG . . . . . 0.415 ' H ' HG22 ' A' ' 821' ' ' THR . 10.5 tpp85 -44.3 -47.97 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 821' ' ' THR . 10.8 p -73.31 -22.75 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -69.7 -56.84 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 830' ' ' TYR . 1.6 tp60 -53.12 -57.81 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.31 -45.64 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 831' ' ' GLN . 40.2 ttt180 -58.11 -69.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.2 pt20 -39.26 -35.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 10.0 m-85 -72.13 -42.29 66.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 828' ' ' ARG . 44.6 mt-30 -56.66 -45.24 81.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.515 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.3 mp -70.45 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.404 ' CG ' ' HD3' ' A' ' 871' ' ' ARG . 16.2 m-20 -49.8 -48.59 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.27 -52.54 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ALA . . . . . 0.562 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -54.46 -44.14 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.646 HG23 HD11 ' A' ' 851' ' ' LEU . 73.3 mt -62.5 -56.02 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 875' ' ' LEU . 53.8 t -55.08 -48.99 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -57.43 -46.76 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.4 mt -63.39 -56.81 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.424 ' HE1' HD22 ' A' ' 851' ' ' LEU . 3.3 mmm -54.31 -44.03 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 27.2 ttmt -54.34 -52.59 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.83 -48.87 79.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.7 mmm180 -90.88 99.13 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 17.4 mmtp -34.49 -44.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 58.6 m -140.65 128.11 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 851' ' ' LEU . 8.7 tp -142.21 152.61 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 35.6 p -94.79 178.7 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 848' ' ' HIS . . . . . 0.573 ' O ' HG22 ' A' ' 852' ' ' VAL . 10.7 t60 -66.32 -49.33 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.27 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.44 -35.75 81.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.646 HD11 HG23 ' A' ' 836' ' ' ILE . 16.4 tp -60.46 -70.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.644 ' CG1' HD21 ' A' ' 868' ' ' LEU . 28.0 m -47.9 -38.44 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 15.8 t -55.97 -58.8 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -54.95 -47.44 74.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 83.7 t -50.4 -57.7 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 32.9 m-85 -50.65 -45.54 57.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -57.12 -34.28 68.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -79.76 -35.85 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 831' ' ' GLN . 21.5 mt -89.25 126.44 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -63.69 -25.15 68.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.45 151.75 47.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.25 19.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.76 140.13 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -67.24 160.59 70.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.689 . . . . 0.0 110.944 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -52.28 -58.94 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 867' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 868' ' ' LEU . 24.2 m-20 -60.05 -61.55 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.644 HD21 ' CG1' ' A' ' 852' ' ' VAL . 31.5 tp -35.27 -58.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -49.21 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -55.45 -42.88 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.1 mmp_? -61.49 -52.08 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.26 -59.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.31 -49.73 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 15.2 m -50.22 -57.35 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 837' ' ' VAL . 37.9 mt -52.41 -47.0 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 891' ' ' TYR . 95.9 mt -53.67 -39.05 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.78 -14.76 50.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -84.85 27.36 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.32 50.62 14.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 880' ' ' TYR . . . . . 0.556 ' HA ' ' HB2' ' A' ' 895' ' ' ALA . 40.8 m-85 -128.98 -37.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.423 ' O ' HG23 ' A' ' 876' ' ' ILE . 95.5 mmm -138.18 156.31 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.9 pt-20 -129.45 142.5 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -75.93 113.54 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -47.37 118.57 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.45 -35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.36 -46.71 87.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -159.21 143.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.82 10.8 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -78.55 -38.27 40.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -90.18 134.02 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.427 ' CE1' HD11 ' A' ' 876' ' ' ILE . 27.6 m-85 -117.08 143.16 46.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 32.9 m-80 -113.86 150.71 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 841' ' ' LYS . 53.6 t80 -76.33 124.21 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 894' ' ' ILE . . . . . 0.411 HG12 ' C ' ' A' ' 880' ' ' TYR . 22.3 pt -121.08 -39.82 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 880' ' ' TYR . . . -39.86 152.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 1.9 m -116.79 89.08 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -108.44 -102.37 2.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 85.69 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.756 2.304 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 69.2 p -57.26 115.54 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 4.5 m -83.1 -45.58 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 8.8 t -171.3 144.91 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 89.8 p -165.8 155.5 12.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 167.32 -178.82 41.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 29.1 m -147.58 172.57 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 32.3 t -147.56 152.91 38.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -128.7 142.59 13.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 49.2 mt -128.31 95.75 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -114.85 120.96 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 39.9 mmm -138.66 108.48 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' LYS . . . . . 0.474 ' CD ' ' H ' ' A' ' 811' ' ' LYS . 0.0 OUTLIER -79.68 143.08 34.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -141.58 159.59 41.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 81.0 p -107.11 153.03 23.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 35.0 m -114.53 150.26 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -88.75 145.15 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.99 120.71 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -157.68 150.87 23.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -55.15 -50.47 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 2.9 m -116.85 98.13 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 62.7 p -60.18 -51.32 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 28.2 p -127.48 168.51 14.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -92.77 -46.55 7.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -48.82 -47.94 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 825' ' ' PHE . 7.7 p -45.68 -42.68 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.437 ' N ' HG13 ' A' ' 824' ' ' VAL . 66.4 t80 -47.0 -59.97 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 828' ' ' ARG . 13.4 mm-40 -65.65 -49.51 68.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 826' ' ' GLN . 0.7 OUTLIER -34.44 -33.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.552 ' O ' HD12 ' A' ' 832' ' ' ILE . 49.6 mtm-85 -66.12 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.4 pt20 -39.68 -34.17 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.472 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -70.27 -44.58 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 828' ' ' ARG . 64.6 mm-40 -59.34 -33.78 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 828' ' ' ARG . 3.8 mp -70.56 -58.21 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 834' ' ' ALA . 0.1 OUTLIER -58.19 -44.81 88.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 834' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.0 -49.96 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.2 -44.73 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 851' ' ' LEU . 63.2 mt -58.7 -60.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.38 -39.18 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -62.95 -45.33 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.3 mt -65.77 -48.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.41 ' SD ' ' HE2' ' A' ' 881' ' ' MET . 3.4 mmt -58.86 -48.33 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -51.89 -57.4 9.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.54 -36.27 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 844' ' ' LYS . 24.6 mmt180 -108.59 90.69 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 843' ' ' ARG . 7.4 mptt -34.68 -58.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 16.6 m -118.49 125.18 49.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 5.5 tp -145.58 151.21 37.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 90.3 p -93.79 165.18 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 848' ' ' HIS . . . . . 0.437 ' CE1' HG11 ' A' ' 852' ' ' VAL . 11.9 t-80 -54.08 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -44.69 -53.78 6.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.97 -36.66 82.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 836' ' ' ILE . 37.7 tp -64.78 -71.93 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 853' ' ' SER . 33.0 m -40.66 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.488 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.3 t -54.82 -57.24 12.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -52.91 -45.78 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.6 t -51.31 -53.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -54.41 -43.79 71.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -60.8 -30.16 69.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -81.91 -38.88 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.6 mt -91.2 132.75 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -74.26 -26.51 60.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -106.06 149.12 37.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 153.65 68.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 864' ' ' LYS . 70.6 t -113.59 155.4 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 864' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 863' ' ' VAL . 0.4 OUTLIER -75.8 154.58 85.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.754 2.303 . . . . 0.0 112.33 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.36 -62.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -51.89 -43.37 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 852' ' ' VAL . 14.3 tp -52.37 -47.19 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.71 -63.14 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -48.81 -43.08 37.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -55.08 -59.45 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.49 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -44.84 -62.42 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 64.9 m -41.61 -57.5 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.15 -44.33 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.436 ' CD1' ' CE1' ' A' ' 891' ' ' TYR . 86.6 mt -57.72 -35.9 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -84.52 -13.08 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 878' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 11.8 mtp180 -84.55 34.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.22 46.98 25.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 880' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.5 m-85 -124.73 -36.22 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.41 ' HE2' ' SD ' ' A' ' 840' ' ' MET . 89.4 mmm -142.04 165.01 28.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.8 pt-20 -134.44 138.61 44.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -75.95 111.48 11.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 884' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 885' ' ' LYS . 33.8 t0 -43.17 117.34 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 885' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 884' ' ' ASP . 56.4 mttt -35.86 -42.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.48 -60.24 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -146.5 144.42 20.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.586 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.2 Cg_endo -69.69 -9.96 27.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -67.83 -37.88 82.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -95.43 113.94 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.586 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 24.1 m-85 -101.05 150.51 22.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.5 m-80 -121.48 153.15 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 64.5 t80 -79.51 136.65 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.5 pt -128.92 -39.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -41.97 151.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 73.0 m -123.77 135.48 53.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -155.33 -174.65 25.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 152.92 69.85 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 4.4 m -67.84 106.74 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 44.2 p -108.53 89.56 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 69.8 m -155.48 149.49 25.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 5.4 t -149.65 173.54 13.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 163.1 123.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 37.1 m -152.11 172.59 16.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 79.5 p -144.84 148.78 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -145.76 101.12 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.01 113.58 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 0.0 111.171 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -94.46 136.56 34.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -74.19 177.09 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -165.43 133.86 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.32 148.57 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 85.0 m -115.85 148.16 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.23 150.51 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -121.97 173.42 7.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -163.37 142.88 8.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -89.66 116.39 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -43.23 122.58 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 38.0 m -135.33 127.5 29.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 91.3 m -75.13 124.26 26.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 822' ' ' GLU . 35.7 m -155.28 135.86 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 821' ' ' THR . 4.3 tp10 -34.66 -52.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -45.02 -49.5 11.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 90.9 t -52.36 -46.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -38.62 -50.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.46 ' O ' ' CD2' ' A' ' 830' ' ' TYR . 39.7 mt-30 -65.55 -40.64 93.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.947 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.9 -43.76 77.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -63.39 -71.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.7 pt20 -39.19 -45.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 826' ' ' GLN . 11.1 m-85 -61.37 -44.11 97.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -54.54 -44.82 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.794 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.0 mp -62.07 -62.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.92 -58.96 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -40.32 -56.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.44 72.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.766 HG23 HD11 ' A' ' 851' ' ' LEU . 97.6 mt -65.06 -69.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 97.4 t -42.32 -38.73 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -62.13 -52.59 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.407 HG22 HD22 ' A' ' 846' ' ' LEU . 17.8 mt -58.18 -55.84 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.591 ' HB3' ' HE2' ' A' ' 881' ' ' MET . 5.6 mtt -56.15 -64.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 840' ' ' MET . 17.5 ttpp -34.58 -52.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.63 -43.76 97.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 840' ' ' MET . 9.8 mmm180 -96.69 97.85 9.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 843' ' ' ARG . 48.8 mmtt -35.05 -43.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.4 m -138.49 130.67 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' LEU . . . . . 0.413 HD13 ' HE ' ' A' ' 843' ' ' ARG . 6.9 tp -146.54 154.33 41.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 96.1 p -94.48 169.98 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 848' ' ' HIS . . . . . 0.485 ' NE2' HG11 ' A' ' 852' ' ' VAL . 40.6 t60 -61.91 -50.77 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -49.37 -56.67 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.766 HD11 HG23 ' A' ' 836' ' ' ILE . 26.5 tp -64.4 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 853' ' ' SER . 32.8 m -51.47 -44.16 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.505 ' N ' HG23 ' A' ' 852' ' ' VAL . 4.9 t -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.41 -52.64 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 855' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 836' ' ' ILE . 69.7 t -49.71 -55.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -48.44 -46.2 37.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.48 -32.26 72.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -76.44 -39.88 52.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.86 131.51 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -110.68 147.45 36.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.43 62.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 93.8 t -118.12 130.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -58.89 156.52 24.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -38.22 7.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.35 -59.48 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -61.37 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 21.8 tp -41.53 -55.34 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.63 -47.06 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.794 ' HG3' HG21 ' A' ' 832' ' ' ILE . 27.0 mmm180 -58.91 -53.28 60.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.92 -62.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -40.28 -56.26 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 27.0 t -49.49 -51.74 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.0 mt -53.45 -46.33 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 881' ' ' MET . 64.7 mt -55.85 -38.48 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.76 -14.07 52.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -83.94 16.08 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 22.4 t0 64.46 51.17 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -127.43 -30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.591 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 88.0 mmm -147.36 147.93 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.7 pt-20 -119.6 137.06 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -75.85 122.27 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -54.39 117.14 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 885' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 886' ' ' GLU . 2.1 pttp -42.75 -26.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 886' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 885' ' ' LYS . 5.6 mt-10 -69.49 -52.85 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -156.13 144.19 14.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -1.31 8.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -78.99 -27.44 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -103.27 132.26 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.6 141.11 49.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 12.3 m-80 -110.76 153.88 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 31.3 t80 -84.68 127.15 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.0 pt -120.94 -34.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 895' ' ' ALA . . . . . 0.629 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -40.35 135.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 26.6 t -112.17 130.89 55.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -157.39 173.89 34.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 85.78 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 5.3 t -105.59 128.56 53.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 17.6 m -39.09 -56.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.447 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 3.9 m -124.58 -60.05 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 3.4 m -112.88 114.38 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -165.1 95.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 12.5 m -111.84 134.23 53.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 58.5 m -140.56 167.38 22.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.47 101.68 1.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 42.5 mm -75.22 111.95 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.316 . . . . 0.0 111.109 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -154.02 108.24 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 3.7 mmt -122.64 162.15 22.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -117.7 106.51 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -131.03 93.02 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 40.5 m -146.9 140.65 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.43 40.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -89.82 116.17 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -64.55 160.45 19.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -114.4 -58.79 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -146.17 175.42 10.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 37.4 p -49.53 -179.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 67.9 p -49.65 123.9 8.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.4 ' HB ' HG12 ' A' ' 824' ' ' VAL . 19.1 p -121.87 131.22 53.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -128.07 -50.51 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -45.9 -42.21 12.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 825' ' ' PHE . 7.8 p -63.59 -42.29 95.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.449 ' N ' HG13 ' A' ' 824' ' ' VAL . 31.9 t80 -44.18 -57.51 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 828' ' ' ARG . 3.7 mp0 -53.05 -50.53 64.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 826' ' ' GLN . 35.7 t70 -34.57 -35.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 831' ' ' GLN . 37.3 mtt85 -68.51 -70.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 829' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.3 pt20 -38.04 -30.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.3 m-85 -78.18 -42.47 31.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 828' ' ' ARG . 21.4 mm100 -55.65 -43.73 76.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.51 HD12 ' H ' ' A' ' 832' ' ' ILE . 4.0 mp -73.13 -55.58 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.689 ' CG ' HD21 ' A' ' 875' ' ' LEU . 8.5 t0 -51.69 -41.79 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.04 -51.37 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.27 68.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.767 HG23 HD11 ' A' ' 851' ' ' LEU . 53.5 mt -63.28 -69.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 833' ' ' ASP . 59.7 t -37.64 -45.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -60.01 -48.12 83.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 854' ' ' GLU . 21.7 mt -62.72 -49.61 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.496 ' SD ' HD13 ' A' ' 851' ' ' LEU . 2.9 mmt -47.78 -53.0 16.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.85 -51.65 28.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 52.2 mtt -62.19 -47.68 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.1 mmm180 -101.34 85.67 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.3 mptm? -34.3 -64.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 845' ' ' THR . . . . . 0.409 HG22 ' CD ' ' A' ' 890' ' ' GLN . 36.4 m -115.05 119.42 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.0 tp -137.57 154.08 49.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.5 m -92.19 157.65 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -47.67 -60.51 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -44.6 -53.09 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 850' ' ' LEU . 3.6 mm? -63.09 -34.07 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 851' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 836' ' ' ILE . 63.5 tp -64.38 -69.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.461 HG12 HD21 ' A' ' 868' ' ' LEU . 27.2 m -46.57 -39.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 25.0 t -57.76 -50.42 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 854' ' ' GLU . . . . . 0.51 ' HB3' HD13 ' A' ' 839' ' ' ILE . 8.9 mm-40 -57.27 -57.93 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -42.51 -55.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -53.81 -41.97 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.77 -37.08 70.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -79.15 -36.7 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.0 mt -92.66 117.91 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -84.86 25.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 861' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' A' ' 863' ' ' VAL . 11.7 p90 -136.57 151.72 73.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 134.01 27.05 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 863' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 861' ' ' PHE . 94.6 t -126.29 112.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -43.87 154.56 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -34.68 14.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.64 92.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.37 -50.7 62.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.461 HD21 HG12 ' A' ' 852' ' ' VAL . 28.1 tp -55.92 -53.91 51.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -53.17 -53.61 48.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -55.7 -47.95 75.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 871' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 14.8 mmp_? -53.85 -49.06 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.13 -57.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.42 -58.85 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 874' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 877' ' ' ASP . 7.1 m -43.53 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.689 HD21 ' CG ' ' A' ' 833' ' ' ASP . 85.5 mt -38.97 -51.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 881' ' ' MET . 81.6 mt -51.92 -41.37 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 877' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 874' ' ' SER . 15.0 t0 -75.64 -15.56 60.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 33.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 49.3 35.09 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -110.68 -38.82 5.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 876' ' ' ILE . 87.8 mmm -138.82 157.61 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -132.71 144.12 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -77.02 112.6 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -44.62 132.08 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -53.67 -38.17 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.51 -53.62 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 887' ' ' ASN . . . . . 0.429 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.0 t-20 -148.79 139.84 13.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.0 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -81.72 -19.79 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 890' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 891' ' ' TYR . 1.7 tp-100 -97.27 144.27 27.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.429 ' N ' ' HG3' ' A' ' 890' ' ' GLN . 29.4 m-85 -123.37 136.7 54.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -112.72 153.52 27.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -84.26 115.51 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 10.1 pt -108.32 -12.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . -82.61 166.99 18.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 90.1 p -139.03 163.69 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -125.03 83.87 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 85.63 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 98.9 p -105.42 127.94 53.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 75.0 m 60.52 43.31 13.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 88.1 p -115.2 111.14 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.7 t -127.81 147.06 50.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -179.81 72.28 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 57.7 p -53.3 152.13 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 87.5 p -130.16 -44.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 110.44 -125.39 7.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 50.5 mm -117.83 127.0 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -107.25 -46.9 3.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 6.0 mmt -72.22 125.02 26.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -109.37 169.53 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -110.61 76.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 6.1 p -108.49 -5.17 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.33 171.72 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -122.44 -44.43 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -90.05 -59.46 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -147.27 164.96 31.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -73.58 -63.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 3.4 m -154.61 161.74 41.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.7 p -110.82 110.47 21.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 821' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 822' ' ' GLU . 24.6 m -162.13 139.91 8.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 822' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 821' ' ' THR . 7.2 mm-40 -38.04 -54.47 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -41.01 -50.86 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 92.0 t -46.2 -45.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -45.84 -52.48 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 826' ' ' GLN . . . . . 0.426 ' O ' ' CD2' ' A' ' 830' ' ' TYR . 10.2 mp0 -58.77 -50.82 72.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -48.12 -49.18 32.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' ARG . . . . . 0.537 ' NH1' ' CD2' ' A' ' 861' ' ' PHE . 19.3 mmt180 -57.4 -73.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -38.84 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 830' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 826' ' ' GLN . 13.4 m-85 -77.23 -42.2 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 11.2 mm100 -56.95 -39.67 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 832' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 832' ' ' ILE . 3.9 mp -75.85 -58.96 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.554 ' OD1' HD21 ' A' ' 875' ' ' LEU . 52.8 t0 -53.59 -31.98 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -72.25 -55.02 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.53 -44.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' A' ' 840' ' ' MET . 86.8 mt -60.85 -61.99 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.23 -38.88 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -66.47 -37.32 84.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 29.9 mt -75.43 -60.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.559 ' HE1' ' HG3' ' A' ' 881' ' ' MET . 7.8 mtt -48.26 -54.55 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -40.01 -60.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.3 mtt -58.05 -41.64 83.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.2 mmt-85 -98.78 95.98 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 844' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 893' ' ' TYR . 7.8 mptt -34.57 -55.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 87.1 m -123.67 132.09 53.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -144.84 148.43 33.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 3.9 m -95.56 160.34 14.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -49.0 -48.38 43.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 852' ' ' VAL . 32.3 t30 -55.16 -68.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.49 -31.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 49.1 tp -72.11 -65.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 852' ' ' VAL . . . . . 0.64 HG22 ' CE2' ' A' ' 856' ' ' TYR . 0.4 OUTLIER -37.91 -37.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.415 ' N ' ' CG1' ' A' ' 852' ' ' VAL . 47.7 t -70.65 -60.71 2.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -47.96 -46.99 32.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 23.5 t -57.76 -64.16 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 856' ' ' TYR . . . . . 0.64 ' CE2' HG22 ' A' ' 852' ' ' VAL . 9.3 m-85 -42.84 -37.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -66.89 -40.5 87.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -73.15 -29.4 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.1 mt -101.78 120.96 41.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -84.48 23.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 861' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 859' ' ' LEU . 16.1 p90 -141.32 148.47 51.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.748 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.32 42.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 65.5 t -128.03 130.01 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -60.85 154.18 60.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -34.31 14.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.16 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -63.79 -53.85 44.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.9 tp -52.2 -61.51 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -48.34 -50.62 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -54.55 -44.8 73.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -61.04 -46.5 90.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.33 -63.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -47.24 -55.54 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 m -49.38 -54.37 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 875' ' ' LEU . . . . . 0.554 HD21 ' OD1' ' A' ' 833' ' ' ASP . 47.1 mt -51.08 -50.16 59.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 876' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 881' ' ' MET . 84.1 mt -50.88 -43.17 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.84 -15.24 59.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -81.98 16.04 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 64.68 51.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.15 -36.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 881' ' ' MET . . . . . 0.796 ' O ' HG23 ' A' ' 876' ' ' ILE . 80.4 mmm -142.22 145.83 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 882' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 6.7 pt-20 -114.53 142.2 46.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -77.63 116.4 18.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -50.74 119.9 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -41.78 -32.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.72 -46.94 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -162.29 144.01 8.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.672 0.748 . . . . 0.0 110.821 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 888' ' ' PRO . . . . . 0.563 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.3 Cg_endo -69.75 -12.54 33.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -100.73 117.72 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 891' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 11.0 m-85 -105.23 140.39 38.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 892' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 67.9 m-20 -108.79 149.52 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 893' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 844' ' ' LYS . 38.9 t80 -78.14 125.29 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.88 -29.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . -58.5 -179.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 84.6 p -118.09 133.05 56.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 897' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 898' ' ' PRO . . . -44.96 -63.05 2.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 898' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 897' ' ' GLY . 53.3 Cg_endo -69.8 -164.97 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 4.0 m 51.93 48.18 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 9.2 t -112.37 124.8 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.515 ' O ' HD12 ' A' ' 832' ' ' ILE . 16.0 ttm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -40.84 -39.38 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -69.28 -47.11 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -52.3 -41.16 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.542 HG21 ' HG3' ' A' ' 871' ' ' ARG . 4.1 mp -73.42 -71.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.435 ' OD1' HD21 ' A' ' 875' ' ' LEU . 19.4 t0 -41.27 -37.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.38 -49.47 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -60.15 -33.87 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 851' ' ' LEU . 45.5 mt -69.99 -54.48 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 75.2 t -55.95 -41.22 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.078 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.02 -45.78 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 835' ' ' ALA . 24.2 mt -66.6 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.422 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.4 mmm -48.02 -52.25 20.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 32.2 ttpt -48.45 -61.44 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 64.6 mmm -51.98 -36.65 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.1 mmt180 -101.05 93.63 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.7 mmmp? -34.35 -45.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.447 HG21 ' NE2' ' A' ' 890' ' ' GLN . 30.5 m -140.98 117.68 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -130.41 153.01 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 8.0 m -95.7 177.46 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -61.73 -55.02 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -53.75 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 850' ' ' LEU . 3.8 mm? -58.75 -33.84 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 872' ' ' ILE . 12.0 tp -70.63 -69.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 28.3 m -44.27 -37.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 39.4 t -65.38 -55.69 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.21 -54.0 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 39.8 t -47.59 -54.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 13.6 m-85 -51.64 -44.66 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.79 -32.97 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -80.16 -24.11 40.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 861' ' ' PHE . 8.6 mt -105.62 117.71 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -80.71 12.13 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 859' ' ' LEU . 11.1 p90 -131.2 145.98 60.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.99 22.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 97.4 t -110.66 147.37 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -75.11 155.32 86.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.81 13.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.284 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.17 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.35 -53.26 25.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 29.4 tp -50.24 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.05 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -51.98 -47.12 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.542 ' HG3' HG21 ' A' ' 832' ' ' ILE . 14.0 mmp_? -55.29 -48.39 74.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . 0.48 HG12 HD21 ' A' ' 851' ' ' LEU . 52.1 mt -57.94 -69.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 872' ' ' ILE . 52.0 mt-10 -36.98 -60.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 47.2 m -46.21 -64.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.435 HD21 ' OD1' ' A' ' 833' ' ' ASP . 75.0 mt -41.98 -49.94 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 881' ' ' MET . 30.8 mt -52.53 -44.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -79.23 -12.7 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -86.92 26.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.98 48.18 18.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -125.84 -37.03 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.654 ' O ' HG23 ' A' ' 876' ' ' ILE . 93.6 mmm -142.23 149.07 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.21 144.6 50.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.75 128.23 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -61.29 122.97 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -38.75 -38.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.27 -65.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.73 144.0 23.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.672 0.748 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.45 4.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -78.38 -20.95 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . 0.447 ' NE2' HG21 ' A' ' 845' ' ' THR . 15.0 tt0 -107.44 132.57 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -120.75 133.92 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -104.57 157.73 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.761 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 73.6 t80 -86.42 135.41 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.8 pt -129.93 -33.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.761 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 832' ' ' ILE . 12.0 tpp180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.72 0.295 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.1 pt20 -47.08 -30.32 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.466 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.6 m-85 -76.06 -35.18 59.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.59 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.1 mp -70.82 -56.63 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 837' ' ' VAL . 15.3 m-20 -53.02 -38.67 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.46 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.76 58.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.815 HG23 HD11 ' A' ' 851' ' ' LEU . 67.6 mt -61.34 -62.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 833' ' ' ASP . 84.3 t -44.07 -39.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -69.34 -53.46 19.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.814 HD13 ' HB2' ' A' ' 854' ' ' GLU . 40.1 mt -55.28 -52.69 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.443 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.1 mmm -58.85 -50.02 75.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 31.1 ttpt -48.26 -57.44 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 13.4 mmt -54.07 -48.23 70.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.8 mmm180 -90.57 99.11 12.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 27.7 mmtp -34.38 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 63.1 m -141.54 136.16 30.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . 0.501 HD11 HD13 ' A' ' 850' ' ' LEU . 7.4 tp -148.57 164.58 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 31.9 m -109.35 178.59 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -63.55 -53.02 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -42.32 -63.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 846' ' ' LEU . 12.0 mt -63.93 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.815 HD11 HG23 ' A' ' 836' ' ' ILE . 12.0 tp -41.24 -66.58 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.55 ' CG1' HD21 ' A' ' 868' ' ' LEU . 28.1 m -60.1 -34.64 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 8.4 t -55.87 -57.4 12.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . 0.814 ' HB2' HD13 ' A' ' 839' ' ' ILE . 6.1 mm-40 -57.98 -50.18 74.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . 0.434 HG21 HG12 ' A' ' 836' ' ' ILE . 55.3 t -44.68 -53.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.747 ' OH ' HD22 ' A' ' 868' ' ' LEU . 43.7 m-85 -57.85 -47.87 81.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -54.61 -28.97 50.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -83.5 -41.29 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 832' ' ' ILE . 14.6 mt -83.81 130.93 34.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -22.12 62.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . 0.415 ' CE1' ' HD2' ' A' ' 828' ' ' ARG . 8.2 p90 -114.62 149.93 43.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.18 67.91 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.83 140.47 35.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -64.47 158.02 68.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -40.75 4.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.8 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 868' ' ' LEU . 42.3 m-20 -58.23 -62.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.747 HD22 ' OH ' ' A' ' 856' ' ' TYR . 24.6 tp -34.45 -56.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -55.18 -48.52 73.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . 0.421 ' HB3' ' NH2' ' A' ' 871' ' ' ARG . 71.8 mttt -55.53 -68.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.437 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -36.72 -48.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . 0.694 HG12 HD21 ' A' ' 851' ' ' LEU . 63.2 mt -53.93 -68.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.29 -59.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 43.8 m -42.49 -60.32 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 59.1 mt -46.39 -44.56 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 881' ' ' MET . 80.6 mt -60.07 -33.1 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.47 -11.34 49.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -86.81 27.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 55.13 37.09 28.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -114.9 -36.8 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 876' ' ' ILE . 91.8 mmm -142.21 148.7 38.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 11.3 pt-20 -118.34 148.84 42.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -87.61 127.16 35.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.48 118.78 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 885' ' ' LYS . 0.0 OUTLIER -42.11 -32.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.03 -50.26 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.434 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 2.6 t-20 -154.51 141.23 13.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.8 -12.36 32.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.21 -39.27 86.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.41 130.98 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 22.5 m-85 -118.87 144.99 46.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.448 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 24.1 m-80 -110.99 161.8 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 30.9 t80 -90.07 129.86 36.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 881' ' ' MET . 2.2 pt -120.69 -35.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 832' ' ' ILE . 17.0 mtm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.735 0.302 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -39.63 -33.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.493 ' O ' ' CB ' ' A' ' 834' ' ' ALA . 38.0 m-85 -75.22 -40.82 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 828' ' ' ARG . 7.8 mm100 -59.73 -47.43 85.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.3 mp -67.24 -60.43 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.496 ' OD2' HD21 ' A' ' 875' ' ' LEU . 5.7 t0 -54.18 -41.81 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -58.16 -55.73 31.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.54 -48.32 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.697 HG23 HD11 ' A' ' 851' ' ' LEU . 70.8 mt -55.67 -65.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 38.9 t -42.59 -48.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -59.89 -46.65 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.406 HG21 ' CB ' ' A' ' 854' ' ' GLU . 18.3 mt -62.79 -64.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.474 ' HE1' ' HG3' ' A' ' 881' ' ' MET . 8.0 mtt -49.48 -59.62 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.41 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 63.0 tttt -37.5 -46.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 2.6 mmt -70.81 -40.02 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 840' ' ' MET . 28.4 mmt180 -95.15 95.31 8.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 843' ' ' ARG . 28.7 mmtm -35.77 -43.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 891' ' ' TYR . 90.3 m -137.95 132.32 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 851' ' ' LEU . 7.9 tp -146.97 148.34 31.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.2 m -94.53 174.75 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . 0.48 ' O ' HG22 ' A' ' 852' ' ' VAL . 25.1 t60 -59.12 -60.49 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -48.11 -54.32 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -35.47 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 836' ' ' ILE . 44.3 tp -64.66 -69.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 848' ' ' HIS . 32.8 m -49.89 -32.08 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 40.1 t -63.9 -51.54 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . 0.406 ' CB ' HG21 ' A' ' 839' ' ' ILE . 21.9 mm-40 -56.47 -46.74 80.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 84.7 t -55.65 -58.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.54 -40.24 90.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -71.63 -40.27 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 832' ' ' ILE . 12.3 mt -93.15 116.83 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -84.48 19.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . 0.601 ' CE2' HG22 ' A' ' 863' ' ' VAL . 18.1 p90 -129.61 151.0 77.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.01 22.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.601 HG22 ' CE2' ' A' ' 861' ' ' PHE . 73.8 t -120.23 110.16 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -38.34 152.81 0.16 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -34.25 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.43 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -65.09 -54.21 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.39 -62.14 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -50.27 -52.66 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -52.29 -46.97 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.51 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.2 mmp_? -51.72 -52.19 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 78.6 mt -53.07 -58.8 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -47.04 -57.74 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 11.1 m -46.11 -61.74 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.496 HD21 ' OD2' ' A' ' 833' ' ' ASP . 29.3 mt -43.25 -50.9 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.01 -40.08 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.77 -15.92 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -84.76 16.91 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.71 50.36 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . 0.435 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 39.0 m-85 -122.94 -25.48 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.575 ' N ' HD11 ' A' ' 894' ' ' ILE . 71.8 mmm -149.13 161.87 41.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.3 pt-20 -133.82 139.96 46.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -76.52 119.41 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -51.33 127.32 19.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -49.61 -29.87 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.12 -68.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -133.64 143.35 47.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 1.12 4.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -88.64 -25.13 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -96.36 133.53 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 845' ' ' THR . 11.4 m-85 -122.42 147.6 46.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.431 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.4 m-80 -117.05 160.14 21.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 31.9 t80 -88.03 138.16 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.575 HD11 ' N ' ' A' ' 881' ' ' MET . 3.1 pt -129.88 -42.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 831' ' ' GLN . 7.2 ttm105 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.733 0.301 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -38.58 -32.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.4 m-85 -75.88 -42.63 48.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.496 ' HB3' HD22 ' A' ' 859' ' ' LEU . 9.4 mm-40 -55.2 -43.44 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.3 mp -73.09 -62.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -49.04 -40.14 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.02 68.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.56 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -61.07 -44.06 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 93.7 mt -57.67 -60.3 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 87.3 t -52.01 -53.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -55.06 -49.1 72.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.0 mt -66.15 -68.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.425 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.9 mmm -40.4 -44.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -55.77 -54.36 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.6 mmm -56.8 -42.41 79.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 844' ' ' LYS . 9.4 mmm180 -96.4 101.2 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 843' ' ' ARG . 23.5 mmtm -35.6 -44.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 891' ' ' TYR . 30.9 m -137.55 134.62 35.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.4 tp -145.76 148.15 32.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 59.2 p -99.69 -178.08 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -64.77 -53.34 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -51.76 -55.93 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.4 -38.72 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.567 HD21 HG12 ' A' ' 872' ' ' ILE . 35.2 tp -59.8 -67.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 868' ' ' LEU . 30.8 m -46.48 -42.19 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 852' ' ' VAL . 40.1 t -54.06 -58.69 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.42 -55.89 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 60.1 t -39.51 -59.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -55.08 -40.15 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.47 -37.65 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.67 -35.68 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 831' ' ' GLN . 11.7 mt -93.2 116.44 29.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -84.7 22.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 863' ' ' VAL . 34.8 p90 -133.66 152.25 78.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.18 22.85 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.566 HG22 ' CE2' ' A' ' 861' ' ' PHE . 87.4 t -117.97 116.25 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -48.48 153.35 1.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.37 12.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.333 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.79 -60.89 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 868' ' ' LEU . 0.9 OUTLIER -54.35 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 852' ' ' VAL . 33.0 tp -35.13 -56.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -50.94 -50.42 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 871' ' ' ARG . 45.9 mttm -55.53 -66.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -37.2 -47.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . 0.567 HG12 HD21 ' A' ' 851' ' ' LEU . 58.7 mt -60.17 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -49.62 -59.77 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 4.1 m -43.7 -58.09 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -48.68 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 881' ' ' MET . 77.4 mt -54.62 -37.72 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.52 -14.12 57.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . 0.431 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 27.0 mtp85 -84.59 25.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.16 47.84 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 42.2 m-85 -124.46 -37.82 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.453 ' O ' HG23 ' A' ' 876' ' ' ILE . 90.5 mmm -137.59 158.46 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 4.9 pt-20 -127.38 141.11 51.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.74 118.66 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 885' ' ' LYS . 32.5 t0 -48.26 112.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 884' ' ' ASP . 30.6 mtpt -34.44 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.76 -61.37 2.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -141.99 143.76 29.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.79 -11.82 31.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -67.63 -36.42 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -96.39 127.33 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 845' ' ' THR . 13.7 m-85 -113.29 154.41 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 37.1 m-80 -123.05 155.88 36.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 36.2 t80 -82.12 129.21 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.24 -35.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.428 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.762 0.315 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -39.57 -41.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -67.22 -44.68 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -54.44 -45.07 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.496 HD12 ' N ' ' A' ' 832' ' ' ILE . 3.6 mp -69.9 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 833' ' ' ASP . 21.0 t0 -39.25 -41.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -65.4 -55.46 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -51.15 -40.42 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.666 HG23 HD11 ' A' ' 851' ' ' LEU . 55.0 mt -65.44 -57.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 31.6 t -55.55 -31.98 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -74.68 -32.19 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 835' ' ' ALA . 20.5 mt -79.0 -50.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.476 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.3 mmm -60.93 -46.22 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -51.69 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 8.6 mmt -53.4 -38.57 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.2 mmm180 -97.26 95.0 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.2 mmtm -34.32 -44.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 17.8 m -142.18 124.54 15.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.13 161.25 36.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 1.2 t -102.13 176.34 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.0 -60.88 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -50.08 -46.28 53.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.6 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.666 HD11 HG23 ' A' ' 836' ' ' ILE . 40.4 tp -69.46 -68.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 853' ' ' SER . 21.3 m -41.71 -43.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.503 ' N ' HG23 ' A' ' 852' ' ' VAL . 16.7 t -60.3 -54.11 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -54.51 -49.5 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.38 -49.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 21.5 m-85 -53.8 -42.6 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -67.66 -31.47 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -75.47 -28.94 59.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.19 124.63 45.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -63.08 -13.93 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -123.04 148.46 54.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 147.52 63.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 72.4 t -116.42 129.88 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -56.07 155.26 12.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.89 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -54.33 -61.49 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -53.94 -62.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.436 HD21 HG12 ' A' ' 852' ' ' VAL . 17.0 tp -41.31 -58.23 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -47.81 -50.86 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.23 -41.53 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.46 -47.69 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.99 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -43.82 -60.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 t -42.87 -59.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.57 -48.1 28.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 881' ' ' MET . 58.2 mt -54.68 -37.49 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.22 -13.37 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -88.33 32.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.85 48.61 22.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -124.5 -32.26 3.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 876' ' ' ILE . 82.6 mmm -150.25 146.75 26.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.98 144.86 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -78.78 132.18 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -67.57 114.75 6.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -40.39 -33.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.33 -66.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.6 t-20 -135.69 140.21 33.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.747 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.4 Cg_endo -69.81 -6.84 19.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.273 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -79.97 -12.72 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -108.66 140.65 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -133.28 139.04 46.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -109.12 155.69 20.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 68.9 t80 -82.81 135.02 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 881' ' ' MET . 4.8 pt -128.83 -41.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.423 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 831' ' ' GLN . 20.3 tpp85 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.768 0.318 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 7.0 pt20 -40.91 -31.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.44 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 34.6 m-85 -78.23 -37.7 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 15.6 mt-30 -60.39 -47.03 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 832' ' ' ILE . 3.9 mp -72.74 -54.48 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 875' ' ' LEU . 23.5 t0 -54.08 -36.19 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.25 -50.1 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.04 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.659 HG23 HD11 ' A' ' 851' ' ' LEU . 57.3 mt -62.41 -59.02 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.25 -37.51 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -64.02 -43.06 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' A' ' 854' ' ' GLU . 43.9 mt -70.35 -57.04 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.602 ' SD ' HG22 ' A' ' 836' ' ' ILE . 5.3 mtt -55.44 -59.52 4.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 840' ' ' MET . 41.9 tttm -36.53 -58.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.6 mtt -62.6 -38.29 89.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 844' ' ' LYS . 36.2 mmt180 -93.98 96.9 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 843' ' ' ARG . 61.1 mmtt -36.72 -47.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.2 m -138.55 123.46 18.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . 0.437 HD22 HG22 ' A' ' 839' ' ' ILE . 9.5 tp -135.57 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 71.5 m -93.15 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -66.49 -38.56 87.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.47 -48.16 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.2 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.659 HD11 HG23 ' A' ' 836' ' ' ILE . 66.3 tp -68.82 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 853' ' ' SER . 33.8 m -45.57 -45.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.51 ' N ' HG23 ' A' ' 852' ' ' VAL . 13.2 t -54.64 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . 0.452 ' HB2' HD13 ' A' ' 839' ' ' ILE . 44.8 mm-40 -55.09 -46.68 75.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -52.08 -55.32 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.82 -40.85 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.34 -30.89 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -82.93 -36.48 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 21.0 mt -89.09 127.49 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.59 150.38 45.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 159.44 53.43 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.383 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.86 142.23 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -69.12 154.35 95.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -36.92 9.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -52.84 52.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 25.3 tp -45.24 -56.3 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -57.22 -46.1 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -55.98 -46.31 78.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 71.5 mt -54.8 -67.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -39.59 -57.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 38.8 t -48.49 -58.58 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.47 HD21 ' OD2' ' A' ' 833' ' ' ASP . 58.5 mt -47.97 -45.0 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 881' ' ' MET . 30.0 mt -57.09 -38.93 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.18 -14.27 55.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -84.82 23.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.83 49.51 7.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -124.84 -37.17 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.772 ' O ' HG23 ' A' ' 876' ' ' ILE . 80.1 mmm -144.63 146.36 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 7.5 pt-20 -115.89 141.35 48.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -77.66 117.29 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 6.9 t0 -53.38 117.51 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -43.95 -36.12 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 11.5 pt-20 -58.64 -43.32 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 25.9 p30 -165.92 143.73 4.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -0.21 6.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.406 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.89 -22.26 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 884' ' ' ASP . 24.0 tt0 -103.81 136.33 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -126.22 136.6 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 46.7 m-80 -108.17 153.28 23.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 38.0 t80 -83.5 134.01 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 895' ' ' ALA . 5.1 pt -127.74 -40.14 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.527 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 829' ' ' GLN . 8.0 tmm_? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.8 pt20 -41.09 -32.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 15.3 m-85 -75.34 -49.12 20.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -52.03 -37.48 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 859' ' ' LEU . 3.2 mp -75.62 -65.79 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 837' ' ' VAL . 11.2 t0 -43.4 -40.73 3.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.45 -57.58 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.474 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -47.25 -36.66 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.525 HG23 HD11 ' A' ' 851' ' ' LEU . 51.1 mt -72.53 -65.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.59 HG22 HD22 ' A' ' 875' ' ' LEU . 97.2 t -46.06 -27.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -80.77 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 835' ' ' ALA . 23.7 mt -58.3 -49.24 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.479 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.6 mmm -57.91 -37.86 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 23.9 ttpp -62.68 -60.37 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 10.4 mmm -49.81 -35.61 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -101.56 102.26 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -39.76 -32.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 891' ' ' TYR . 38.7 m -151.99 131.2 12.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 851' ' ' LEU . 8.3 tp -143.48 159.17 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 24.9 m -108.84 178.73 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -59.03 -57.29 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -44.9 -63.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 850' ' ' LEU . 0.7 OUTLIER -59.21 -41.41 88.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.769 HD21 HG12 ' A' ' 872' ' ' ILE . 10.0 tp -51.45 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.551 HG12 HD21 ' A' ' 868' ' ' LEU . 23.4 m -52.71 -42.96 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 852' ' ' VAL . 6.7 t -50.42 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.58 -52.44 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . 0.428 HG21 HG12 ' A' ' 836' ' ' ILE . 36.9 t -48.0 -56.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -51.36 -45.78 62.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -56.87 -34.29 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -74.28 -32.38 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 859' ' ' LEU . 4.4 mt -97.18 120.38 37.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -2.09 36.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -118.37 149.34 45.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.78 48.78 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 864' ' ' LYS . 95.8 t -120.18 154.7 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 863' ' ' VAL . 4.4 mtpm? -79.14 150.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -41.35 4.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.85 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.28 -61.05 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.551 HD21 HG12 ' A' ' 852' ' ' VAL . 17.7 tp -39.31 -59.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -47.62 -54.71 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -51.64 -46.06 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -56.05 -47.24 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . 0.769 HG12 HD21 ' A' ' 851' ' ' LEU . 50.4 mt -54.91 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 874' ' ' SER . 7.2 mm-40 -44.91 -68.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 877' ' ' ASP . 2.5 t -38.46 -67.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.59 HD22 HG22 ' A' ' 837' ' ' VAL . 78.3 mt -39.92 -51.9 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.64 -31.2 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 874' ' ' SER . 2.3 m-20 -86.68 -7.27 58.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 878' ' ' ARG . 8.5 mmm180 -84.03 10.13 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 17.7 t70 74.44 25.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -104.68 -34.89 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 58.3 mmm -139.99 160.97 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -134.8 145.68 48.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -78.7 127.75 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 886' ' ' GLU . 38.3 t0 -56.27 114.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -40.83 -27.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.4 mt-10 -68.94 -57.07 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.426 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.1 t-20 -144.96 140.23 16.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 54.1 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -84.28 -3.83 58.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -117.31 150.79 38.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.463 ' O ' HG23 ' A' ' 845' ' ' THR . 20.0 m-85 -134.24 141.07 46.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -114.61 148.76 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 66.8 t80 -83.28 130.82 35.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 895' ' ' ALA . 2.9 pt -124.55 -38.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 831' ' ' GLN . 46.2 mtt85 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.796 0.332 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.5 pt20 -38.3 -32.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 44.6 m-85 -77.41 -45.61 25.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 828' ' ' ARG . 16.8 mm-40 -57.94 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 832' ' ' ILE . 2.3 mp -73.45 -55.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 837' ' ' VAL . 5.8 t0 -52.37 -41.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -64.45 -59.27 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.547 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -44.96 -37.67 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.718 HG23 HD11 ' A' ' 851' ' ' LEU . 56.8 mt -70.29 -70.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 833' ' ' ASP . 60.8 t -42.12 -35.74 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -70.67 -55.67 8.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.6 mt -53.82 -44.52 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.434 ' SD ' ' HE2' ' A' ' 881' ' ' MET . 3.4 mmt -58.4 -48.63 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -49.63 -58.33 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 3.8 mmt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.1 mmm180 -108.67 92.8 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.6 mptp? -35.18 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 890' ' ' GLN . 90.7 m -102.79 122.66 44.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.83 160.51 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.6 m -100.82 172.84 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -61.44 -58.18 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.28 -44.59 61.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.16 -35.78 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.718 HD11 HG23 ' A' ' 836' ' ' ILE . 44.8 tp -66.81 -67.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.629 HG12 HD21 ' A' ' 868' ' ' LEU . 5.2 m -44.55 -39.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 852' ' ' VAL . 29.9 t -59.98 -57.22 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.03 -52.15 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 36.4 t -47.32 -55.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 20.3 m-85 -53.36 -44.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.27 -33.21 69.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -78.86 -35.95 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.7 139.37 32.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -84.8 -17.91 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -117.49 147.24 40.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 141.5 45.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 94.3 t -119.83 134.15 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -63.53 155.99 73.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.06 24.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.52 -66.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.16 -48.0 83.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.629 HD21 HG12 ' A' ' 852' ' ' VAL . 23.8 tp -49.48 -56.45 9.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -51.36 -56.88 10.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -48.28 -43.26 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.81 -49.75 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 62.9 mt -54.64 -67.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -41.07 -60.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 877' ' ' ASP . 4.2 t -44.99 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.41 HD21 ' OD2' ' A' ' 833' ' ' ASP . 38.9 mt -38.91 -48.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 881' ' ' MET . 69.8 mt -56.04 -37.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 874' ' ' SER . 1.8 t70 -81.84 -9.86 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . 0.453 ' HB2' ' CD2' ' A' ' 880' ' ' TYR . 11.6 mmm180 -82.64 19.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 62.39 29.11 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . 0.453 ' CD2' ' HB2' ' A' ' 878' ' ' ARG . 22.4 m-85 -108.26 -38.69 5.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.6 ' O ' HG23 ' A' ' 876' ' ' ILE . 96.9 mmm -135.48 146.23 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.78 139.51 51.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -76.07 117.48 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -51.77 130.0 27.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -52.13 -42.7 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 8.6 pt-20 -52.89 -43.14 65.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.48 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 9.4 m120 -167.16 142.93 3.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.96 17.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -75.87 -19.32 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 845' ' ' THR . 14.4 tt0 -109.82 131.69 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -118.11 144.08 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -115.63 158.35 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.866 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 64.9 t80 -86.22 130.79 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.5 pt -124.26 -31.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.866 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.8 pt20 -41.86 -30.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.3 m-85 -76.56 -48.76 18.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.401 ' HA ' ' NE2' ' A' ' 831' ' ' GLN . 10.0 mm-40 -55.89 -37.64 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.536 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.0 mp -73.95 -56.07 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.88 -34.35 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.44 -54.08 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -39.99 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.703 HG23 HD11 ' A' ' 851' ' ' LEU . 48.8 mt -67.82 -56.58 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.35 -31.58 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -72.83 -53.79 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 854' ' ' GLU . 26.9 mt -58.98 -53.69 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 4.4 mmm -52.21 -59.04 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 64.8 tttt -42.89 -62.21 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.0 mmt -50.95 -38.27 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.8 mmm180 -99.58 94.96 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 30.5 mmtp -34.33 -44.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 891' ' ' TYR . 31.7 m -139.68 131.2 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.0 tp -146.38 157.93 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 77.7 p -105.13 -178.97 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -64.12 -63.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.94 -56.57 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.55 -44.01 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.703 HD11 HG23 ' A' ' 836' ' ' ILE . 14.4 tp -55.21 -71.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 853' ' ' SER . 12.2 m -45.14 -43.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.6 t -54.93 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . 0.508 ' HB2' HD13 ' A' ' 839' ' ' ILE . 35.8 mm-40 -48.93 -53.87 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 49.4 t -47.49 -53.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -51.85 -41.26 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -66.95 -30.15 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -76.66 -37.82 55.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.1 131.4 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -70.92 -20.26 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -112.19 146.44 34.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.52 48.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.23 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.5 t -117.93 134.58 61.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -61.78 153.53 71.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.14 21.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.25 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.72 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.67 -53.56 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 17.9 tp -52.33 -56.52 14.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.35 -56.81 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -52.06 -53.94 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.536 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.7 mmp_? -47.99 -50.9 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 851' ' ' LEU . 59.9 mt -53.32 -68.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.13 -52.91 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.446 ' C ' ' HD3' ' A' ' 878' ' ' ARG . 57.9 m -48.19 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 42.0 mt -41.12 -44.83 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 881' ' ' MET . 33.4 mt -58.36 -38.25 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 874' ' ' SER . 12.5 t0 -82.42 -16.71 48.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . 0.446 ' HD3' ' C ' ' A' ' 874' ' ' SER . 1.9 mpt_? -81.53 12.7 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 68.51 42.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -119.33 -29.91 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.576 ' O ' HG23 ' A' ' 876' ' ' ILE . 91.1 mmm -146.43 150.94 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.26 140.53 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 883' ' ' ARG . 24.9 mtm105 -77.25 146.99 36.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -82.84 123.97 29.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -46.17 -31.21 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.6 pt-20 -63.22 -45.11 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.477 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 16.6 m120 -161.97 143.28 8.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.445 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.3 Cg_endo -69.8 -14.49 36.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.88 -20.77 61.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -101.94 143.1 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.518 ' O ' HG23 ' A' ' 845' ' ' THR . 13.8 m-85 -134.89 152.65 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.444 ' O ' ' HE3' ' A' ' 881' ' ' MET . 18.8 m-80 -120.19 165.08 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 53.6 t80 -92.26 121.23 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 895' ' ' ALA . 8.3 pt -115.92 -41.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.447 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.741 0.305 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 10.0 pt20 -44.23 -32.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.482 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 25.1 m-85 -77.78 -39.41 44.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -58.41 -49.67 76.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.3 mp -68.76 -53.08 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.455 ' OD2' HD21 ' A' ' 875' ' ' LEU . 12.8 t0 -55.48 -40.35 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.51 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.547 ' HB1' HE21 ' A' ' 858' ' ' GLN . . . -56.62 -39.21 73.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.583 HG23 HD11 ' A' ' 851' ' ' LEU . 75.1 mt -64.91 -67.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 92.3 t -40.42 -45.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -61.41 -47.14 87.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 835' ' ' ALA . 18.9 mt -63.95 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE3' ' HG3' ' A' ' 881' ' ' MET . 3.5 mmt -55.06 -49.77 70.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -49.88 -63.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.7 mtt -55.44 -40.56 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 63.5 mmt-85 -103.81 85.61 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -34.25 -66.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.2 m -109.05 126.74 53.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 850' ' ' LEU . 8.6 tp -146.06 153.78 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 72.6 m -101.21 147.59 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -38.46 -45.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -45.15 -65.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 846' ' ' LEU . 9.7 mp -62.5 -45.84 91.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.583 HD11 HG23 ' A' ' 836' ' ' ILE . 24.4 tp -40.31 -62.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 1.136 HG12 HD21 ' A' ' 868' ' ' LEU . 28.1 m -60.66 -43.13 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.9 m -50.21 -55.24 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -54.76 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 61.0 t -42.43 -53.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' ' 852' ' ' VAL . 35.7 m-85 -57.79 -41.64 82.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -62.6 -30.52 71.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . 0.547 HE21 ' HB1' ' A' ' 835' ' ' ALA . 20.4 mt-30 -82.09 -39.31 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.41 130.16 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -71.13 -27.57 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -105.5 147.03 33.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.03 59.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.632 2.221 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.6 131.87 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.57 158.36 31.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -44.36 -62.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . 0.458 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 6.4 m-20 -54.41 -59.5 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 1.136 HD21 HG12 ' A' ' 852' ' ' VAL . 15.5 tp -41.55 -59.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -46.08 -51.44 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 51.6 mtmt -55.74 -44.76 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 5.7 mmp_? -59.84 -52.13 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . 0.439 HG12 HD21 ' A' ' 851' ' ' LEU . 56.8 mt -57.53 -64.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -47.34 -58.04 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 8.7 t -47.79 -58.21 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.455 HD21 ' OD2' ' A' ' 833' ' ' ASP . 47.3 mt -47.34 -51.56 19.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 881' ' ' MET . 65.8 mt -51.81 -40.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.57 -14.09 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . 0.465 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 51.0 mtt180 -84.64 29.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.2 t70 54.27 47.58 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 41.0 m-85 -124.62 -39.26 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.659 ' O ' HG23 ' A' ' 876' ' ' ILE . 94.7 mmm -138.91 154.25 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.1 pt-20 -126.86 137.14 53.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -75.97 115.82 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.89 123.42 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -45.54 -47.86 14.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 6.6 pt-20 -45.87 -37.56 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 9.1 m120 -173.43 142.06 0.95 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.725 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.6 3.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -82.32 -35.47 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.93 134.31 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -118.66 150.55 39.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.445 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 14.4 m-80 -120.57 153.65 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -84.67 115.64 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 895' ' ' ALA . 11.0 pt -109.25 -41.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 880' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 831' ' ' GLN . 44.2 mmm-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.796 0.331 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.6 pt20 -39.74 -38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.466 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 10.1 m-85 -67.61 -43.2 81.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 828' ' ' ARG . 45.2 mm-40 -57.08 -48.58 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.0 mp -70.82 -55.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 837' ' ' VAL . 26.2 t0 -55.01 -35.03 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.91 -53.68 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.85 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.98 HG23 HD11 ' A' ' 851' ' ' LEU . 72.6 mt -61.28 -57.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 833' ' ' ASP . 96.8 t -53.9 -48.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -53.31 -61.59 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.559 HD13 ' CB ' ' A' ' 854' ' ' GLU . 31.6 mt -52.69 -47.92 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.577 ' SD ' HG22 ' A' ' 836' ' ' ILE . 14.7 mtt -56.1 -61.98 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 6.2 ttpm? -39.32 -65.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 28.0 mmt -48.12 -38.41 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 49.4 mmt-85 -100.97 92.95 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.6 mmtm -34.33 -43.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.537 HG21 ' NE2' ' A' ' 890' ' ' GLN . 97.2 m -139.86 125.04 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 11.6 tp -137.91 155.27 49.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 37.1 p -93.83 171.56 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -64.63 -46.7 81.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -56.25 -55.44 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.16 -32.84 73.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.98 HD11 HG23 ' A' ' 836' ' ' ILE . 18.4 tp -66.08 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.437 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 17.2 m -48.18 -39.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.1 t -60.3 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . 0.559 ' CB ' HD13 ' A' ' 839' ' ' ILE . 42.1 mm-40 -47.07 -49.3 21.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.24 -56.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.592 ' OH ' HD22 ' A' ' 868' ' ' LEU . 28.7 m-85 -52.19 -41.7 62.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -62.16 -34.51 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -75.85 -37.58 58.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.95 139.92 29.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.39 -25.29 54.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -112.81 147.81 37.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.61 62.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.3 t -124.25 126.22 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -52.68 158.93 1.91 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.24 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -50.48 -59.45 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.83 -64.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.592 HD22 ' OH ' ' A' ' 856' ' ' TYR . 14.3 tp -38.2 -51.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -55.17 -47.26 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -54.64 -55.99 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -48.34 -44.72 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.69 -58.48 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -52.83 -55.96 19.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 16.9 m -46.01 -53.49 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.587 HD21 ' OD1' ' A' ' 833' ' ' ASP . 42.6 mt -52.34 -52.9 50.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 881' ' ' MET . 73.1 mt -51.4 -39.22 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -75.4 -20.98 58.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -83.14 12.18 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 45.6 t0 69.24 34.17 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.27 -32.91 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 876' ' ' ILE . 75.0 mmm -147.42 160.11 42.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 10.4 pt-20 -129.84 148.85 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . 0.453 ' NE ' ' HB3' ' A' ' 888' ' ' PRO . 5.3 mtp-105 -76.48 111.23 11.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . 0.49 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 62.3 t0 -51.69 120.2 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 884' ' ' ASP . 6.7 mt-10 -70.05 -44.06 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 884' ' ' ASP . 54.8 m-20 -168.99 152.36 5.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.695 0.759 . . . . 0.0 110.828 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.541 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.1 Cg_endo -69.77 -21.43 33.45 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.8 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . 0.537 ' NE2' HG21 ' A' ' 845' ' ' THR . 34.0 tt0 -92.4 129.29 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.541 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 21.6 m-85 -116.22 138.04 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.446 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 4.0 m-80 -105.13 148.54 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 895' ' ' ALA . 10.4 t80 -80.28 128.49 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.59 -26.76 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.193 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 831' ' ' GLN . 22.0 ttm-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.6 pt20 -39.51 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.2 m-85 -74.26 -45.26 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.435 ' HB3' HD22 ' A' ' 859' ' ' LEU . 56.5 mm-40 -55.29 -43.65 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.556 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.2 mp -69.14 -57.51 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.727 ' OD1' HD21 ' A' ' 875' ' ' LEU . 2.0 t0 -50.45 -51.55 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.14 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.411 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -60.81 -44.22 97.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.644 HG23 HD11 ' A' ' 851' ' ' LEU . 90.7 mt -61.33 -59.42 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 83.8 t -47.83 -50.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -56.2 -53.84 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 835' ' ' ALA . 18.8 mt -55.98 -60.71 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.554 ' SD ' HG22 ' A' ' 836' ' ' ILE . 7.8 mtt -53.8 -60.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 840' ' ' MET . 46.9 tttt -35.41 -52.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.15 -40.32 90.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.7 mmm180 -99.06 95.77 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.0 OUTLIER -34.33 -55.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.5 m -124.52 134.44 53.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.1 tp -148.59 149.36 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 52.0 p -91.64 172.83 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.14 -60.14 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -44.53 -54.25 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.37 -42.48 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.644 HD11 HG23 ' A' ' 836' ' ' ILE . 49.1 tp -55.8 -62.41 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 853' ' ' SER . 34.1 m -52.51 -41.28 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 852' ' ' VAL . 45.3 t -52.03 -60.73 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -51.74 -55.21 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.41 -55.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -56.51 -44.93 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -52.9 -34.26 54.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -82.59 -39.82 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 15.7 mt -88.05 115.74 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -85.61 26.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . 0.716 ' CE2' HG22 ' A' ' 863' ' ' VAL . 13.4 p90 -136.4 152.91 75.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.8 28.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.716 HG22 ' CE2' ' A' ' 861' ' ' PHE . 95.4 t -130.39 118.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -49.84 154.81 1.68 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.05 8.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.11 -52.67 62.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.5 -58.58 7.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.99 -57.32 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -54.04 -54.03 44.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -47.77 -53.48 15.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 829' ' ' GLN . 31.2 mmm180 -53.53 -49.31 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.01 -52.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -53.64 -60.44 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 61.6 m -41.24 -54.46 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.727 HD21 ' OD1' ' A' ' 833' ' ' ASP . 31.3 mt -51.41 -53.39 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 78.5 mt -48.82 -46.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.34 -12.64 60.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 34.1 mtt180 -86.14 31.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.66 48.21 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.9 m-85 -125.37 -37.74 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.546 ' HE1' ' HB3' ' A' ' 840' ' ' MET . 78.2 mmm -141.8 161.38 38.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.6 pt-20 -130.94 137.71 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -76.01 119.75 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -53.58 123.93 13.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -45.99 -35.57 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.35 -49.51 71.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.2 t-20 -156.54 139.83 11.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.5 Cg_endo -69.75 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -72.98 -39.95 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.19 116.09 28.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -100.19 149.32 23.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 54.4 m-20 -117.72 148.76 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 22.6 t80 -81.48 127.41 32.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 5.2 pt -120.43 -34.49 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 832' ' ' ILE . 68.7 mtm180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.0 pt20 -39.49 -38.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.407 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 28.6 m-85 -72.46 -38.42 68.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 828' ' ' ARG . 6.8 mm-40 -60.93 -45.68 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.2 mp -69.06 -55.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.5 ' CG ' HD21 ' A' ' 875' ' ' LEU . 7.5 t0 -56.17 -40.4 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -61.35 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.13 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.623 HG23 HD11 ' A' ' 851' ' ' LEU . 54.4 mt -60.9 -66.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.575 HG22 HD22 ' A' ' 875' ' ' LEU . 99.4 t -45.59 -36.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.86 -56.43 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.439 HD13 ' CB ' ' A' ' 854' ' ' GLU . 39.7 mt -54.95 -55.23 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.461 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.2 mmm -51.2 -48.25 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -50.99 -52.75 39.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.481 ' HG3' HD13 ' A' ' 846' ' ' LEU . 15.3 mmm180 -91.81 94.68 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.0 mmmp? -34.78 -36.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 891' ' ' TYR . 89.2 m -146.61 124.14 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . 0.481 HD13 ' HG3' ' A' ' 843' ' ' ARG . 6.0 tp -139.99 152.51 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.2 t -102.01 -178.48 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -63.13 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -41.43 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 -38.96 86.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.623 HD11 HG23 ' A' ' 836' ' ' ILE . 33.9 tp -61.23 -68.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.8 HG12 HD21 ' A' ' 868' ' ' LEU . 32.8 m -44.04 -42.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.1 t -54.92 -60.19 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . 0.439 ' CB ' HD13 ' A' ' 839' ' ' ILE . 20.9 mm-40 -51.77 -53.83 35.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -47.37 -52.96 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 27.7 m-85 -53.85 -41.83 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -64.04 -29.45 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -79.64 -41.58 26.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 15.1 mt -86.3 132.13 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -74.0 -15.54 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -119.87 146.31 41.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.61 54.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 79.4 t -111.54 141.73 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -64.72 156.11 79.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.33 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.26 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -53.95 -66.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . 0.413 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 34.4 m-20 -52.11 -55.73 18.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.8 HD21 HG12 ' A' ' 852' ' ' VAL . 14.2 tp -44.81 -51.13 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -54.53 -56.3 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 33.7 mtmt -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -54.35 -46.37 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.3 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.93 -61.4 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 877' ' ' ASP . 47.4 p -42.56 -67.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.575 HD22 HG22 ' A' ' 837' ' ' VAL . 59.9 mt -39.36 -51.31 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.95 -36.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 874' ' ' SER . 5.1 t70 -84.8 -9.23 58.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -80.26 12.92 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 879' ' ' ASP . 0.4 OUTLIER 68.58 35.08 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . 0.455 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 23.2 m-85 -116.99 -33.95 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 90.7 mmm -135.84 166.55 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.2 pt-20 -142.63 139.94 31.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -76.06 121.77 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 886' ' ' GLU . 45.5 t0 -49.07 112.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 884' ' ' ASP . 17.9 mmtm -37.55 -28.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.7 mt-10 -69.51 -60.94 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -143.48 140.9 18.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.74 7.35 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.16 -23.48 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -107.5 143.12 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 845' ' ' THR . 8.9 m-85 -123.65 145.8 48.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.46 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 25.2 m-80 -117.22 160.61 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 55.1 t80 -90.52 132.85 35.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.455 ' CG1' ' C ' ' A' ' 880' ' ' TYR . 1.7 pt -123.73 -42.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.565 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 831' ' ' GLN . 11.1 mmt85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.793 0.33 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 2.0 pt20 -39.58 -30.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.463 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -78.02 -39.54 41.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 828' ' ' ARG . 26.8 mm-40 -61.13 -46.31 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 832' ' ' ILE . 3.0 mp -70.77 -54.97 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -57.31 -40.51 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -59.85 -57.95 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -51.03 -37.13 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.488 HG22 ' SD ' ' A' ' 840' ' ' MET . 71.9 mt -67.21 -63.68 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.79 -46.02 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -61.08 -64.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 835' ' ' ALA . 24.9 mt -45.99 -56.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.488 ' SD ' HG22 ' A' ' 836' ' ' ILE . 22.3 mtt -51.96 -57.78 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 893' ' ' TYR . 27.6 tptt -37.41 -64.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 16.5 mmt -54.96 -43.8 73.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.9 mmp_? -97.38 94.47 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.459 ' N ' ' HE3' ' A' ' 844' ' ' LYS . 0.0 OUTLIER -35.02 -53.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 891' ' ' TYR . 91.2 m -125.99 135.65 52.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.3 tp -147.25 149.83 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 848' ' ' HIS . 71.3 p -103.59 150.58 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . 0.645 ' NE2' HG11 ' A' ' 852' ' ' VAL . 25.7 t60 -35.42 -53.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -45.49 -57.65 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 850' ' ' LEU . 3.5 mm? -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.479 HD11 HG23 ' A' ' 836' ' ' ILE . 57.0 tp -46.55 -72.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.645 HG11 ' NE2' ' A' ' 848' ' ' HIS . 16.1 m -45.11 -44.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 852' ' ' VAL . 5.6 t -55.99 -65.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -49.4 -47.36 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 52.9 t -49.27 -53.37 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 35.1 m-85 -55.45 -42.87 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.86 -32.01 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -83.44 -36.89 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.29 128.62 35.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -28.21 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -113.06 151.12 43.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 69.8 t -124.89 134.86 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.7 158.89 28.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.7 10.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.74 -60.45 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.39 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 60.8 tp -43.56 -56.34 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -60.97 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.41 -42.84 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.414 ' HG3' HG21 ' A' ' 832' ' ' ILE . 13.1 mmp_? -63.23 -50.08 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.04 -62.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -46.71 -59.11 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 m -41.75 -59.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 836' ' ' ILE . 34.7 mt -45.96 -50.01 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 881' ' ' MET . 57.9 mt -53.56 -39.56 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.7 -17.29 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -80.26 11.07 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 69.34 46.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -120.13 -34.31 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.56 ' O ' HG23 ' A' ' 876' ' ' ILE . 52.6 mmm -142.02 150.25 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -117.41 137.0 52.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -76.08 115.38 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.42 126.4 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 886' ' ' GLU . 0.0 OUTLIER -47.99 -30.23 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.471 ' HG3' ' ND2' ' A' ' 887' ' ' ASN . 6.5 pt-20 -63.74 -42.95 97.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 886' ' ' GLU . 17.8 p30 -169.02 143.46 2.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -4.36 13.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -75.65 -27.35 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -99.47 133.63 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.434 ' CE1' HD11 ' A' ' 876' ' ' ILE . 22.0 m-85 -119.66 141.33 49.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -115.12 149.8 37.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.582 ' CE2' ' HD2' ' A' ' 841' ' ' LYS . 6.9 t80 -80.07 126.48 31.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 3.7 pt -120.51 -33.19 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.417 ' O ' ' CE2' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 831' ' ' GLN . 21.4 ttp180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -39.57 -33.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.477 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.5 m-85 -72.31 -39.46 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 828' ' ' ARG . 31.7 mt-30 -64.31 -32.01 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.664 HG21 ' HG3' ' A' ' 871' ' ' ARG . 2.2 mp -73.59 -60.1 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.483 ' O ' HG23 ' A' ' 837' ' ' VAL . 0.1 OUTLIER -53.35 -45.48 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . 0.479 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.92 -55.66 32.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.459 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -52.48 -43.61 65.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 851' ' ' LEU . 81.2 mt -59.02 -58.94 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 833' ' ' ASP . 78.8 t -48.78 -53.56 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -55.39 -57.87 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.7 mt -50.24 -59.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.561 ' HE1' HD22 ' A' ' 851' ' ' LEU . 2.5 mmt -53.05 -43.22 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 3.1 ttmp? -53.49 -59.7 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 84.4 mmm -55.51 -41.88 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.2 mmm180 -95.24 97.93 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 31.4 mmtm -34.49 -51.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 98.8 m -133.14 133.16 42.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . 0.448 ' HG ' ' CB ' ' A' ' 850' ' ' LEU . 9.5 tp -141.23 146.09 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 848' ' ' HIS . 70.4 m -94.08 147.67 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 847' ' ' SER . 26.7 t60 -34.88 -55.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.17 -51.48 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 846' ' ' LEU . 3.7 mm? -61.43 -34.5 75.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.561 HD22 ' HE1' ' A' ' 840' ' ' MET . 25.5 tp -64.51 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.408 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 35.5 m -47.51 -38.19 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.5 t -61.94 -57.2 12.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . 0.429 ' CB ' HG21 ' A' ' 839' ' ' ILE . 13.1 mm-40 -52.11 -56.51 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.92 -57.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 18.1 m-85 -50.49 -38.96 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -62.83 -35.98 81.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -79.71 -30.08 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 859' ' ' LEU . 5.5 mt -100.94 118.55 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 15.25 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -133.28 150.19 74.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 140.46 42.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 75.7 t -120.81 122.13 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -48.02 153.13 1.24 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.549 0.69 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.81 18.01 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.677 2.251 . . . . 0.0 112.399 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.84 70.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.35 -47.88 66.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.95 -62.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 872' ' ' ILE . 1.1 mmmm -52.34 -50.62 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -52.31 -48.28 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.664 ' HG3' HG21 ' A' ' 832' ' ' ILE . 10.2 mmp_? -56.79 -42.15 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . 0.559 HG12 HD21 ' A' ' 851' ' ' LEU . 64.7 mt -62.02 -64.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -48.8 -60.48 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 877' ' ' ASP . 16.3 p -42.03 -66.74 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 837' ' ' VAL . 42.8 mt -38.99 -51.57 1.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.892 HG23 ' O ' ' A' ' 881' ' ' MET . 78.8 mt -53.39 -37.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 874' ' ' SER . 38.6 t70 -77.28 -17.5 58.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 880' ' ' TYR . 1.0 OUTLIER -84.56 26.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 39.0 t70 56.29 31.95 19.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 878' ' ' ARG . 17.7 m-85 -100.97 -37.11 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.892 ' O ' HG23 ' A' ' 876' ' ' ILE . 73.6 mmm -146.76 142.74 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.39 139.86 49.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -77.28 137.08 38.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -81.17 147.69 29.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -72.1 -40.56 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.4 pt-20 -48.55 -38.4 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 8.6 m120 -162.28 136.66 5.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -4.26 13.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.57 25.29 8.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -130.83 123.74 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.29 131.02 56.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -104.18 151.19 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.49 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 61.0 t80 -84.18 130.51 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.41 -36.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.436 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 831' ' ' GLN . 40.2 ttt180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.2 pt20 -39.26 -35.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 10.0 m-85 -72.13 -42.29 66.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 828' ' ' ARG . 44.6 mt-30 -56.66 -45.24 81.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.515 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.3 mp -70.45 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.404 ' CG ' ' HD3' ' A' ' 871' ' ' ARG . 16.2 m-20 -49.8 -48.59 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.27 -52.54 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . 0.562 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -54.46 -44.14 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.646 HG23 HD11 ' A' ' 851' ' ' LEU . 73.3 mt -62.5 -56.02 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 875' ' ' LEU . 53.8 t -55.08 -48.99 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -57.43 -46.76 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.4 mt -63.39 -56.81 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.424 ' HE1' HD22 ' A' ' 851' ' ' LEU . 3.3 mmm -54.31 -44.03 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 27.2 ttmt -54.34 -52.59 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.83 -48.87 79.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.7 mmm180 -90.88 99.13 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 17.4 mmtp -34.49 -44.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 58.6 m -140.65 128.11 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 851' ' ' LEU . 8.7 tp -142.21 152.61 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 35.6 p -94.79 178.7 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . 0.573 ' O ' HG22 ' A' ' 852' ' ' VAL . 10.7 t60 -66.32 -49.33 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.27 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.44 -35.75 81.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.646 HD11 HG23 ' A' ' 836' ' ' ILE . 16.4 tp -60.46 -70.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.644 ' CG1' HD21 ' A' ' 868' ' ' LEU . 28.0 m -47.9 -38.44 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 15.8 t -55.97 -58.8 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -54.95 -47.44 74.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 83.7 t -50.4 -57.7 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 32.9 m-85 -50.65 -45.54 57.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -57.12 -34.28 68.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -79.76 -35.85 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 831' ' ' GLN . 21.5 mt -89.25 126.44 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -63.69 -25.15 68.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.45 151.75 47.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.25 19.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.76 140.13 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -67.24 160.59 70.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.689 . . . . 0.0 110.944 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -52.28 -58.94 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 868' ' ' LEU . 24.2 m-20 -60.05 -61.55 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.644 HD21 ' CG1' ' A' ' 852' ' ' VAL . 31.5 tp -35.27 -58.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -49.21 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -55.45 -42.88 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.1 mmp_? -61.49 -52.08 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.26 -59.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.31 -49.73 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 15.2 m -50.22 -57.35 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 837' ' ' VAL . 37.9 mt -52.41 -47.0 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 891' ' ' TYR . 95.9 mt -53.67 -39.05 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.78 -14.76 50.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -84.85 27.36 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.32 50.62 14.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . 0.556 ' HA ' ' HB2' ' A' ' 895' ' ' ALA . 40.8 m-85 -128.98 -37.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.423 ' O ' HG23 ' A' ' 876' ' ' ILE . 95.5 mmm -138.18 156.31 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.9 pt-20 -129.45 142.5 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -75.93 113.54 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -47.37 118.57 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.45 -35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.36 -46.71 87.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -159.21 143.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.82 10.8 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -78.55 -38.27 40.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -90.18 134.02 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.427 ' CE1' HD11 ' A' ' 876' ' ' ILE . 27.6 m-85 -117.08 143.16 46.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 32.9 m-80 -113.86 150.71 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 841' ' ' LYS . 53.6 t80 -76.33 124.21 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . 0.411 HG12 ' C ' ' A' ' 880' ' ' TYR . 22.3 pt -121.08 -39.82 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 880' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.552 ' O ' HD12 ' A' ' 832' ' ' ILE . 49.6 mtm-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.778 0.323 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.4 pt20 -39.68 -34.17 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.472 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -70.27 -44.58 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 828' ' ' ARG . 64.6 mm-40 -59.34 -33.78 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 828' ' ' ARG . 3.8 mp -70.56 -58.21 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 834' ' ' ALA . 0.1 OUTLIER -58.19 -44.81 88.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.0 -49.96 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.2 -44.73 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 851' ' ' LEU . 63.2 mt -58.7 -60.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.38 -39.18 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -62.95 -45.33 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.3 mt -65.77 -48.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.41 ' SD ' ' HE2' ' A' ' 881' ' ' MET . 3.4 mmt -58.86 -48.33 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -51.89 -57.4 9.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.54 -36.27 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 844' ' ' LYS . 24.6 mmt180 -108.59 90.69 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 843' ' ' ARG . 7.4 mptt -34.68 -58.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 16.6 m -118.49 125.18 49.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 5.5 tp -145.58 151.21 37.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 90.3 p -93.79 165.18 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . 0.513 ' CD2' HG13 ' A' ' 852' ' ' VAL . 4.0 t60 -54.08 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -44.69 -53.78 6.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.97 -36.66 82.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 836' ' ' ILE . 37.7 tp -64.78 -71.93 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.513 HG13 ' CD2' ' A' ' 848' ' ' HIS . 33.0 m -40.66 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.488 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.3 t -54.82 -57.24 12.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -52.91 -45.78 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.6 t -51.31 -53.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -54.41 -43.79 71.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -60.8 -30.16 69.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -81.91 -38.88 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.6 mt -91.2 132.75 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -74.26 -26.51 60.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -106.06 149.12 37.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 153.65 68.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 864' ' ' LYS . 70.6 t -113.59 155.4 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 863' ' ' VAL . 0.4 OUTLIER -75.8 154.58 85.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.754 2.303 . . . . 0.0 112.33 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.36 -62.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -51.89 -43.37 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 852' ' ' VAL . 14.3 tp -52.37 -47.19 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.71 -63.14 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -48.81 -43.08 37.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -55.08 -59.45 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.49 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -44.84 -62.42 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 64.9 m -41.61 -57.5 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.15 -44.33 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.436 ' CD1' ' CE1' ' A' ' 891' ' ' TYR . 86.6 mt -57.72 -35.9 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -84.52 -13.08 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 11.8 mtp180 -84.55 34.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.22 46.98 25.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.5 m-85 -124.73 -36.22 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.41 ' HE2' ' SD ' ' A' ' 840' ' ' MET . 89.4 mmm -142.04 165.01 28.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.8 pt-20 -134.44 138.61 44.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -75.95 111.48 11.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 885' ' ' LYS . 33.8 t0 -43.17 117.34 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 884' ' ' ASP . 56.4 mttt -35.86 -42.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.48 -60.24 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -146.5 144.42 20.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.586 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.2 Cg_endo -69.69 -9.96 27.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -67.83 -37.88 82.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -95.43 113.94 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.586 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 24.1 m-85 -101.05 150.51 22.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.5 m-80 -121.48 153.15 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 64.5 t80 -79.51 136.65 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.5 pt -128.92 -39.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.723 0.297 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.7 pt20 -39.19 -45.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.45 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 11.1 m-85 -61.37 -44.11 97.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -54.54 -44.82 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.794 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.0 mp -62.07 -62.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.92 -58.96 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -40.32 -56.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.44 72.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.766 HG23 HD11 ' A' ' 851' ' ' LEU . 97.6 mt -65.06 -69.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 97.4 t -42.32 -38.73 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -62.13 -52.59 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.407 HG22 HD22 ' A' ' 846' ' ' LEU . 17.8 mt -58.18 -55.84 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.591 ' HB3' ' HE2' ' A' ' 881' ' ' MET . 5.6 mtt -56.15 -64.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 840' ' ' MET . 17.5 ttpp -34.58 -52.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.63 -43.76 97.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 840' ' ' MET . 9.8 mmm180 -96.69 97.85 9.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 843' ' ' ARG . 48.8 mmtt -35.05 -43.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.4 m -138.49 130.67 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . 0.413 HD13 ' HE ' ' A' ' 843' ' ' ARG . 6.9 tp -146.54 154.33 41.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 96.1 p -94.48 169.98 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . 0.485 ' NE2' HG11 ' A' ' 852' ' ' VAL . 40.6 t60 -61.91 -50.77 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -49.37 -56.67 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.766 HD11 HG23 ' A' ' 836' ' ' ILE . 26.5 tp -64.4 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 853' ' ' SER . 32.8 m -51.47 -44.16 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.505 ' N ' HG23 ' A' ' 852' ' ' VAL . 4.9 t -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.41 -52.64 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 836' ' ' ILE . 69.7 t -49.71 -55.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -48.44 -46.2 37.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.48 -32.26 72.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -76.44 -39.88 52.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.86 131.51 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -110.68 147.45 36.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.43 62.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 93.8 t -118.12 130.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -58.89 156.52 24.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -38.22 7.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.35 -59.48 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -61.37 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 21.8 tp -41.53 -55.34 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.63 -47.06 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.794 ' HG3' HG21 ' A' ' 832' ' ' ILE . 27.0 mmm180 -58.91 -53.28 60.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.92 -62.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -40.28 -56.26 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 27.0 t -49.49 -51.74 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.0 mt -53.45 -46.33 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 881' ' ' MET . 64.7 mt -55.85 -38.48 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.76 -14.07 52.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -83.94 16.08 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 22.4 t0 64.46 51.17 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -127.43 -30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.591 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 88.0 mmm -147.36 147.93 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.7 pt-20 -119.6 137.06 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -75.85 122.27 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -54.39 117.14 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 886' ' ' GLU . 2.1 pttp -42.75 -26.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 885' ' ' LYS . 5.6 mt-10 -69.49 -52.85 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -156.13 144.19 14.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -1.31 8.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -78.99 -27.44 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -103.27 132.26 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.6 141.11 49.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 12.3 m-80 -110.76 153.88 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 31.3 t80 -84.68 127.15 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.0 pt -120.94 -34.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . 0.629 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 831' ' ' GLN . 37.3 mtt85 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.767 0.317 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.3 pt20 -38.04 -30.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.3 m-85 -78.18 -42.47 31.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 828' ' ' ARG . 21.4 mm100 -55.65 -43.73 76.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.0 mp -73.13 -55.58 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.689 ' CG ' HD21 ' A' ' 875' ' ' LEU . 8.5 t0 -51.69 -41.79 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.04 -51.37 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.27 68.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.767 HG23 HD11 ' A' ' 851' ' ' LEU . 53.5 mt -63.28 -69.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 833' ' ' ASP . 59.7 t -37.64 -45.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -60.01 -48.12 83.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 854' ' ' GLU . 21.7 mt -62.72 -49.61 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.496 ' SD ' HD13 ' A' ' 851' ' ' LEU . 2.9 mmt -47.78 -53.0 16.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.85 -51.65 28.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 52.2 mtt -62.19 -47.68 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.1 mmm180 -101.34 85.67 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.3 mptm? -34.3 -64.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . 0.409 HG22 ' CD ' ' A' ' 890' ' ' GLN . 36.4 m -115.05 119.42 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.0 tp -137.57 154.08 49.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.5 m -92.19 157.65 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -47.67 -60.51 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -44.6 -53.09 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 850' ' ' LEU . 3.6 mm? -63.09 -34.07 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 836' ' ' ILE . 63.5 tp -64.38 -69.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.461 HG12 HD21 ' A' ' 868' ' ' LEU . 27.2 m -46.57 -39.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 25.0 t -57.76 -50.42 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . 0.51 ' HB3' HD13 ' A' ' 839' ' ' ILE . 8.9 mm-40 -57.27 -57.93 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -42.51 -55.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -53.81 -41.97 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.77 -37.08 70.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -79.15 -36.7 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.0 mt -92.66 117.91 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -84.86 25.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' A' ' 863' ' ' VAL . 11.7 p90 -136.57 151.72 73.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 134.01 27.05 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 861' ' ' PHE . 94.6 t -126.29 112.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -43.87 154.56 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -34.68 14.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.64 92.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.37 -50.7 62.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.461 HD21 HG12 ' A' ' 852' ' ' VAL . 28.1 tp -55.92 -53.91 51.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -53.17 -53.61 48.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -55.7 -47.95 75.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 14.8 mmp_? -53.85 -49.06 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.13 -57.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.42 -58.85 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 877' ' ' ASP . 7.1 m -43.53 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.689 HD21 ' CG ' ' A' ' 833' ' ' ASP . 85.5 mt -38.97 -51.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 881' ' ' MET . 81.6 mt -51.92 -41.37 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 874' ' ' SER . 15.0 t0 -75.64 -15.56 60.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 33.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 49.3 35.09 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -110.68 -38.82 5.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 876' ' ' ILE . 87.8 mmm -138.82 157.61 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -132.71 144.12 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -77.02 112.6 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -44.62 132.08 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -53.67 -38.17 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.51 -53.62 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . 0.429 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.0 t-20 -148.79 139.84 13.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.0 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -81.72 -19.79 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 891' ' ' TYR . 1.7 tp-100 -97.27 144.27 27.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.429 ' N ' ' HG3' ' A' ' 890' ' ' GLN . 29.4 m-85 -123.37 136.7 54.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -112.72 153.52 27.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -84.26 115.51 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 10.1 pt -108.32 -12.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' ARG . . . . . 0.537 ' NH1' ' CD2' ' A' ' 861' ' ' PHE . 19.3 mmt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.744 0.307 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -38.84 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -77.23 -42.2 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 11.2 mm100 -56.95 -39.67 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 832' ' ' ILE . 3.9 mp -75.85 -58.96 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.554 ' OD1' HD21 ' A' ' 875' ' ' LEU . 52.8 t0 -53.59 -31.98 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -72.25 -55.02 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.53 -44.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' A' ' 840' ' ' MET . 86.8 mt -60.85 -61.99 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.23 -38.88 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -66.47 -37.32 84.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 29.9 mt -75.43 -60.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.559 ' HE1' ' HG3' ' A' ' 881' ' ' MET . 7.8 mtt -48.26 -54.55 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -40.01 -60.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.3 mtt -58.05 -41.64 83.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.2 mmt-85 -98.78 95.98 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 893' ' ' TYR . 7.8 mptt -34.57 -55.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 87.1 m -123.67 132.09 53.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -144.84 148.43 33.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 3.9 m -95.56 160.34 14.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -49.0 -48.38 43.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 852' ' ' VAL . 32.3 t30 -55.16 -68.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.49 -31.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 49.1 tp -72.11 -65.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' VAL . . . . . 0.64 HG22 ' CE2' ' A' ' 856' ' ' TYR . 0.4 OUTLIER -37.91 -37.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.415 ' N ' ' CG1' ' A' ' 852' ' ' VAL . 47.7 t -70.65 -60.71 2.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -47.96 -46.99 32.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 23.5 t -57.76 -64.16 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 856' ' ' TYR . . . . . 0.64 ' CE2' HG22 ' A' ' 852' ' ' VAL . 9.3 m-85 -42.84 -37.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -66.89 -40.5 87.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -73.15 -29.4 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.1 mt -101.78 120.96 41.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -84.48 23.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 861' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 859' ' ' LEU . 16.1 p90 -141.32 148.47 51.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.748 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.32 42.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 65.5 t -128.03 130.01 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -60.85 154.18 60.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -34.31 14.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.16 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -63.79 -53.85 44.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.9 tp -52.2 -61.51 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -48.34 -50.62 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -54.55 -44.8 73.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -61.04 -46.5 90.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.33 -63.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -47.24 -55.54 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 m -49.38 -54.37 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 875' ' ' LEU . . . . . 0.554 HD21 ' OD1' ' A' ' 833' ' ' ASP . 47.1 mt -51.08 -50.16 59.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 876' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 881' ' ' MET . 84.1 mt -50.88 -43.17 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.84 -15.24 59.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -81.98 16.04 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 64.68 51.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.15 -36.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 881' ' ' MET . . . . . 0.796 ' O ' HG23 ' A' ' 876' ' ' ILE . 80.4 mmm -142.22 145.83 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 882' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 6.7 pt-20 -114.53 142.2 46.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -77.63 116.4 18.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -50.74 119.9 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -41.78 -32.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.72 -46.94 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -162.29 144.01 8.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.672 0.748 . . . . 0.0 110.821 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 888' ' ' PRO . . . . . 0.563 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.3 Cg_endo -69.75 -12.54 33.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -100.73 117.72 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 891' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 11.0 m-85 -105.23 140.39 38.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 892' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 67.9 m-20 -108.79 149.52 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 893' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 844' ' ' LYS . 38.9 t80 -78.14 125.29 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.88 -29.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 24.8 p -132.79 162.2 32.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.8 t -47.26 -47.99 24.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 104.16 123.13 5.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 20.2 m 39.25 43.43 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 1.7 t -107.91 155.45 20.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -89.42 -57.71 1.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 5.8 tp -117.56 140.75 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.093 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -123.5 98.76 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -172.4 116.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt -133.1 152.88 51.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -172.34 125.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 7.3 p -139.18 152.41 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 814' ' ' VAL . 34.6 m -129.71 126.83 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -129.7 139.61 51.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -124.08 86.23 2.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -149.39 128.15 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -42.44 -43.41 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 68.4 m -42.67 164.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 11.8 m -122.07 129.11 52.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 23.4 p -82.75 -177.0 6.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -101.9 -30.17 11.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -67.61 -27.73 67.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 824' ' ' VAL . 14.0 p -67.76 -8.78 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' A' ' 825' ' ' PHE . 3.3 t80 -79.78 -40.1 29.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -80.88 -41.34 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -57.49 -38.31 74.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.515 ' O ' HD12 ' A' ' 832' ' ' ILE . 16.0 ttm180 -64.91 -68.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -40.84 -39.38 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -69.28 -47.11 65.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -52.3 -41.16 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.542 HG21 ' HG3' ' A' ' 871' ' ' ARG . 4.1 mp -73.42 -71.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.435 ' OD1' HD21 ' A' ' 875' ' ' LEU . 19.4 t0 -41.27 -37.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.38 -49.47 55.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -60.15 -33.87 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.473 HG23 HD11 ' A' ' 851' ' ' LEU . 45.5 mt -69.99 -54.48 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 75.2 t -55.95 -41.22 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.078 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -66.02 -45.78 80.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 835' ' ' ALA . 24.2 mt -66.6 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.422 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.4 mmm -48.02 -52.25 20.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 32.2 ttpt -48.45 -61.44 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 64.6 mmm -51.98 -36.65 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.1 mmt180 -101.05 93.63 5.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.7 mmmp? -34.35 -45.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.447 HG21 ' NE2' ' A' ' 890' ' ' GLN . 30.5 m -140.98 117.68 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -130.41 153.01 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 8.0 m -95.7 177.46 5.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -61.73 -55.02 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -53.75 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 850' ' ' LEU . 3.8 mm? -58.75 -33.84 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.48 HD21 HG12 ' A' ' 872' ' ' ILE . 12.0 tp -70.63 -69.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 28.3 m -44.27 -37.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 39.4 t -65.38 -55.69 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.21 -54.0 50.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 39.8 t -47.59 -54.5 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 13.6 m-85 -51.64 -44.66 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.79 -32.97 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -80.16 -24.11 40.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' A' ' 861' ' ' PHE . 8.6 mt -105.62 117.71 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -80.71 12.13 3.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . 0.446 ' CE1' HD13 ' A' ' 859' ' ' LEU . 11.1 p90 -131.2 145.98 60.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.99 22.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.267 . . . . 0.0 112.295 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 97.4 t -110.66 147.37 14.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -75.11 155.32 86.37 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.81 13.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.725 2.284 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.17 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.35 -53.26 25.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 29.4 tp -50.24 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.15 -51.05 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -51.98 -47.12 65.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.542 ' HG3' HG21 ' A' ' 832' ' ' ILE . 14.0 mmp_? -55.29 -48.39 74.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . 0.48 HG12 HD21 ' A' ' 851' ' ' LEU . 52.1 mt -57.94 -69.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 872' ' ' ILE . 52.0 mt-10 -36.98 -60.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 47.2 m -46.21 -64.59 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.435 HD21 ' OD1' ' A' ' 833' ' ' ASP . 75.0 mt -41.98 -49.94 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 881' ' ' MET . 30.8 mt -52.53 -44.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -79.23 -12.7 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -86.92 26.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.98 48.18 18.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -125.84 -37.03 2.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.654 ' O ' HG23 ' A' ' 876' ' ' ILE . 93.6 mmm -142.23 149.07 39.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -125.21 144.6 50.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.75 128.23 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -61.29 122.97 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -38.75 -38.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.27 -65.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.73 144.0 23.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.672 0.748 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 1.45 4.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -78.38 -20.95 50.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . 0.447 ' NE2' HG21 ' A' ' 845' ' ' THR . 15.0 tt0 -107.44 132.57 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -120.75 133.92 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -104.57 157.73 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.761 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 73.6 t80 -86.42 135.41 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.8 pt -129.93 -33.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.761 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -34.12 140.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 29.4 t -109.55 126.18 53.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . 175.87 146.22 5.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.85 26.28 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.739 2.293 . . . . 0.0 112.293 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 85.3 p -151.64 160.22 43.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 12.9 m -115.32 -46.88 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 23.3 t -54.87 160.88 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 110.852 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 73.4 p -51.92 -57.05 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -46.57 106.16 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 70.0 p -102.95 94.25 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.806 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 65.2 m -85.02 133.43 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -150.24 49.75 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 17.3 pt -56.15 142.43 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -142.48 122.38 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 13.6 mmm -111.98 94.71 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -82.77 64.29 7.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.49 123.67 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.4 t -120.97 141.48 50.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.105 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.84 86.01 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -150.13 171.63 16.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -118.48 129.53 55.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -163.58 107.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -60.18 102.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 7.8 t -115.44 133.98 55.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 82.2 p -64.48 172.08 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 3.2 t -37.59 131.57 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -116.2 -39.47 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 827' ' ' ASP . 19.5 ttp-105 -54.36 -42.99 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 10.7 p -49.2 -23.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.421 ' C ' ' CD1' ' A' ' 825' ' ' PHE . 5.3 t80 -78.72 -44.03 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 827' ' ' ASP . 5.5 mm100 -99.22 5.35 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 823' ' ' ARG . 0.4 OUTLIER -37.69 -47.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.451 ' O ' HD12 ' A' ' 832' ' ' ILE . 12.0 tpp180 -47.53 -71.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.1 pt20 -47.08 -30.32 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.466 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.6 m-85 -76.06 -35.18 59.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -64.68 -44.43 90.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.59 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.1 mp -70.82 -56.63 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.642 ' O ' HG23 ' A' ' 837' ' ' VAL . 15.3 m-20 -53.02 -38.67 62.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.12 -54.46 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.76 58.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.815 HG23 HD11 ' A' ' 851' ' ' LEU . 67.6 mt -61.34 -62.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 833' ' ' ASP . 84.3 t -44.07 -39.95 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -69.34 -53.46 19.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.814 HD13 ' HB2' ' A' ' 854' ' ' GLU . 40.1 mt -55.28 -52.69 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.443 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.1 mmm -58.85 -50.02 75.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 31.1 ttpt -48.26 -57.44 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 13.4 mmt -54.07 -48.23 70.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.8 mmm180 -90.57 99.11 12.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 843' ' ' ARG . 27.7 mmtp -34.38 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 63.1 m -141.54 136.16 30.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . 0.501 HD11 HD13 ' A' ' 850' ' ' LEU . 7.4 tp -148.57 164.58 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 31.9 m -109.35 178.59 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -63.55 -53.02 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -42.32 -63.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.501 HD13 HD11 ' A' ' 846' ' ' LEU . 12.0 mt -63.93 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.815 HD11 HG23 ' A' ' 836' ' ' ILE . 12.0 tp -41.24 -66.58 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.55 ' CG1' HD21 ' A' ' 868' ' ' LEU . 28.1 m -60.1 -34.64 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 8.4 t -55.87 -57.4 12.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . 0.814 ' HB2' HD13 ' A' ' 839' ' ' ILE . 6.1 mm-40 -57.98 -50.18 74.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . 0.434 HG21 HG12 ' A' ' 836' ' ' ILE . 55.3 t -44.68 -53.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.747 ' OH ' HD22 ' A' ' 868' ' ' LEU . 43.7 m-85 -57.85 -47.87 81.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -54.61 -28.97 50.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -83.5 -41.29 18.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.487 HD11 HG13 ' A' ' 832' ' ' ILE . 14.6 mt -83.81 130.93 34.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -22.12 62.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . 0.415 ' CE1' ' HD2' ' A' ' 828' ' ' ARG . 8.2 p90 -114.62 149.93 43.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.681 0.753 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.18 67.91 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.9 t -114.83 140.47 35.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -64.47 158.02 68.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.718 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -40.75 4.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.8 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 868' ' ' LEU . 42.3 m-20 -58.23 -62.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.747 HD22 ' OH ' ' A' ' 856' ' ' TYR . 24.6 tp -34.45 -56.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -55.18 -48.52 73.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . 0.421 ' HB3' ' NH2' ' A' ' 871' ' ' ARG . 71.8 mttt -55.53 -68.47 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.437 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -36.72 -48.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . 0.694 HG12 HD21 ' A' ' 851' ' ' LEU . 63.2 mt -53.93 -68.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -47.29 -59.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 43.8 m -42.49 -60.32 1.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 59.1 mt -46.39 -44.56 17.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 881' ' ' MET . 80.6 mt -60.07 -33.1 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -87.47 -11.34 49.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -86.81 27.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 55.13 37.09 28.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -114.9 -36.8 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 876' ' ' ILE . 91.8 mmm -142.21 148.7 38.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.448 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 11.3 pt-20 -118.34 148.84 42.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -87.61 127.16 35.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.48 118.78 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 885' ' ' LYS . 0.0 OUTLIER -42.11 -32.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.03 -50.26 64.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.434 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 2.6 t-20 -154.51 141.23 13.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.8 -12.36 32.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.21 -39.27 86.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.41 130.98 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 22.5 m-85 -118.87 144.99 46.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.448 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 24.1 m-80 -110.99 161.8 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 30.9 t80 -90.07 129.86 36.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 881' ' ' MET . 2.2 pt -120.69 -35.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -52.38 138.32 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 3.2 m -120.88 114.39 21.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -155.28 177.52 32.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 119.21 6.19 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 3.2 m -111.18 127.06 55.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 1.4 t -142.75 158.34 43.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.4 t -157.01 166.65 32.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.7 p -116.9 158.23 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -132.1 100.56 0.43 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 14.3 p -166.95 116.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 27.0 t -154.25 159.67 41.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 179.08 -30.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 808' ' ' ILE . 10.7 tp -54.19 124.98 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.768 0.318 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -131.28 179.03 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 4.9 ptm -108.85 -179.03 3.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 812' ' ' GLU . 34.4 tttm -136.83 151.48 49.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 811' ' ' LYS . 34.5 tt0 -91.03 99.03 12.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 69.7 m -164.35 134.05 3.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 63.6 t -109.91 99.42 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -120.73 146.04 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -153.72 109.1 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -137.61 131.0 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -89.86 87.16 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 4.1 t -171.1 150.11 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 25.2 p -65.74 91.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.582 ' O ' HG12 ' A' ' 824' ' ' VAL . 55.5 m -141.55 141.16 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 821' ' ' THR . 30.4 mt-10 -34.18 -34.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 821' ' ' THR . 23.5 mmt180 -48.48 -50.99 29.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 821' ' ' THR . 9.0 p -43.81 -23.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -68.4 -50.38 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 827' ' ' ASP . 15.0 mt-30 -61.97 -59.54 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 826' ' ' GLN . 29.5 t70 -36.14 -37.64 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 832' ' ' ILE . 17.0 mtm180 -68.79 -73.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -39.63 -33.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.493 ' O ' ' CB ' ' A' ' 834' ' ' ALA . 38.0 m-85 -75.22 -40.82 58.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 828' ' ' ARG . 7.8 mm100 -59.73 -47.43 85.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.3 mp -67.24 -60.43 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.496 ' OD2' HD21 ' A' ' 875' ' ' LEU . 5.7 t0 -54.18 -41.81 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -58.16 -55.73 31.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.54 -48.32 69.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.697 HG23 HD11 ' A' ' 851' ' ' LEU . 70.8 mt -55.67 -65.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 38.9 t -42.59 -48.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -59.89 -46.65 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.406 HG21 ' CB ' ' A' ' 854' ' ' GLU . 18.3 mt -62.79 -64.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.447 ' HE1' ' HG3' ' A' ' 881' ' ' MET . 8.0 mtt -49.48 -59.62 3.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.41 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 63.0 tttt -37.5 -46.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 2.6 mmt -70.81 -40.02 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 840' ' ' MET . 28.4 mmt180 -95.15 95.31 8.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 843' ' ' ARG . 28.7 mmtm -35.77 -43.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 891' ' ' TYR . 90.3 m -137.95 132.32 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 851' ' ' LEU . 7.9 tp -146.97 148.34 31.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.2 m -94.53 174.75 6.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . 0.48 ' O ' HG22 ' A' ' 852' ' ' VAL . 25.1 t60 -59.12 -60.49 3.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -48.11 -54.32 13.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.73 -35.47 80.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.697 HD11 HG23 ' A' ' 836' ' ' ILE . 44.3 tp -64.66 -69.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 848' ' ' HIS . 32.8 m -49.89 -32.08 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 40.1 t -63.9 -51.54 64.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . 0.406 ' CB ' HG21 ' A' ' 839' ' ' ILE . 21.9 mm-40 -56.47 -46.74 80.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 84.7 t -55.65 -58.7 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -60.54 -40.24 90.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -71.63 -40.27 69.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 832' ' ' ILE . 12.3 mt -93.15 116.83 29.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -84.48 19.75 1.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . 0.601 ' CE2' HG22 ' A' ' 863' ' ' VAL . 18.1 p90 -129.61 151.0 77.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.01 22.43 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.601 HG22 ' CE2' ' A' ' 861' ' ' PHE . 73.8 t -120.23 110.16 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -38.34 152.81 0.16 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.57 0.7 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -34.25 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.43 72.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -65.09 -54.21 33.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.39 -62.14 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -50.27 -52.66 34.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -52.29 -46.97 66.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.51 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.2 mmp_? -51.72 -52.19 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 78.6 mt -53.07 -58.8 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -47.04 -57.74 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 11.1 m -46.11 -61.74 1.63 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.496 HD21 ' OD2' ' A' ' 833' ' ' ASP . 29.3 mt -43.25 -50.9 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.01 -40.08 61.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.77 -15.92 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -84.76 16.91 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.71 50.36 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . 0.435 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 39.0 m-85 -122.94 -25.48 4.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.575 ' N ' HD11 ' A' ' 894' ' ' ILE . 71.8 mmm -149.13 161.87 41.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.3 pt-20 -133.82 139.96 46.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 38.7 mtt180 -76.52 119.41 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -51.33 127.32 19.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -49.61 -29.87 7.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -64.12 -68.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -133.64 143.35 47.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 1.12 4.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.625 2.217 . . . . 0.0 112.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -88.64 -25.13 22.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -96.36 133.53 40.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 845' ' ' THR . 11.4 m-85 -122.42 147.6 46.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.431 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.4 m-80 -117.05 160.14 21.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 31.9 t80 -88.03 138.16 31.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.575 HD11 ' N ' ' A' ' 881' ' ' MET . 3.1 pt -129.88 -42.23 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -34.13 140.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 3.5 t -91.02 118.6 30.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -175.44 143.57 6.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.94 58.73 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 30.6 t -78.54 102.81 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 18.4 m -70.48 123.1 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.44 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 43.5 t -117.85 153.92 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 9.1 t -136.19 178.49 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.82 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -165.62 116.61 0.7 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 48.1 t -150.5 146.86 26.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.821 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 1.9 t -145.23 170.37 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -131.85 156.68 22.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.91 146.73 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.51 166.92 24.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 24.1 mmt -113.79 146.68 39.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -125.73 111.19 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -95.79 119.28 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 56.2 m -111.15 135.51 51.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 13.0 p -132.78 140.75 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -121.58 141.64 50.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -118.53 127.24 53.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.21 171.36 9.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -72.77 80.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 10.9 t -139.14 137.08 35.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 21.4 m -81.91 102.63 11.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.443 ' HB ' HG23 ' A' ' 824' ' ' VAL . 12.8 m -122.84 144.51 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 823' ' ' ARG . 12.6 pt-20 -49.6 -44.64 47.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 822' ' ' GLU . 1.1 tmt_? -54.38 -48.66 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.443 HG23 ' HB ' ' A' ' 821' ' ' THR . 88.8 t -43.36 -50.76 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -45.62 -54.75 7.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 827' ' ' ASP . 26.5 mt-30 -61.92 -49.22 77.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 826' ' ' GLN . 30.2 t70 -38.33 -33.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 831' ' ' GLN . 7.2 ttm105 -70.48 -70.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -38.58 -32.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.475 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.4 m-85 -75.88 -42.63 48.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.496 ' HB3' HD22 ' A' ' 859' ' ' LEU . 9.4 mm-40 -55.2 -43.44 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.3 mp -73.09 -62.25 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -49.04 -40.14 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -66.15 -49.02 68.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.56 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -61.07 -44.06 97.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . . . . . . . . . 93.7 mt -57.67 -60.3 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 87.3 t -52.01 -53.29 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 41.2 mtp85 -55.06 -49.1 72.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.0 mt -66.15 -68.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.425 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.9 mmm -40.4 -44.28 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -55.77 -54.36 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.6 mmm -56.8 -42.41 79.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 844' ' ' LYS . 9.4 mmm180 -96.4 101.2 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 843' ' ' ARG . 23.5 mmtm -35.6 -44.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 891' ' ' TYR . 30.9 m -137.55 134.62 35.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.4 tp -145.76 148.15 32.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 59.2 p -99.69 -178.08 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -64.77 -53.34 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -51.76 -55.93 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.4 -38.72 92.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.567 HD21 HG12 ' A' ' 872' ' ' ILE . 35.2 tp -59.8 -67.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 868' ' ' LEU . 30.8 m -46.48 -42.19 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 852' ' ' VAL . 40.1 t -54.06 -58.69 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.42 -55.89 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 60.1 t -39.51 -59.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -55.08 -40.15 70.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.47 -37.65 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.67 -35.68 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 831' ' ' GLN . 11.7 mt -93.2 116.44 29.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -84.7 22.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 863' ' ' VAL . 34.8 p90 -133.66 152.25 78.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.18 22.85 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.566 HG22 ' CE2' ' A' ' 861' ' ' PHE . 87.4 t -117.97 116.25 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -48.48 153.35 1.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.37 12.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.333 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.79 -60.89 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 868' ' ' LEU . 0.9 OUTLIER -54.35 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.582 HD21 HG12 ' A' ' 852' ' ' VAL . 33.0 tp -35.13 -56.95 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -50.94 -50.42 57.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 871' ' ' ARG . 45.9 mttm -55.53 -66.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -37.2 -47.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . 0.567 HG12 HD21 ' A' ' 851' ' ' LEU . 58.7 mt -60.17 -63.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -49.62 -59.77 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 4.1 m -43.7 -58.09 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -48.68 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.453 HG23 ' O ' ' A' ' 881' ' ' MET . 77.4 mt -54.62 -37.72 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -81.52 -14.12 57.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . 0.431 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 27.0 mtp85 -84.59 25.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 10.2 t0 56.16 47.84 18.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 42.2 m-85 -124.46 -37.82 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.453 ' O ' HG23 ' A' ' 876' ' ' ILE . 90.5 mmm -137.59 158.46 44.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 4.9 pt-20 -127.38 141.11 51.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.74 118.66 19.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 885' ' ' LYS . 32.5 t0 -48.26 112.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 884' ' ' ASP . 30.6 mtpt -34.44 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.76 -61.37 2.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -141.99 143.76 29.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.407 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.7 Cg_endo -69.79 -11.82 31.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -67.63 -36.42 80.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -96.39 127.33 42.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.597 ' O ' HG23 ' A' ' 845' ' ' THR . 13.7 m-85 -113.29 154.41 26.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.457 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 37.1 m-80 -123.05 155.88 36.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 36.2 t80 -82.12 129.21 34.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.24 -35.96 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.428 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -47.04 144.05 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 16.0 t -118.52 111.67 18.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -114.55 162.69 12.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 174.73 9.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.673 2.249 . . . . 0.0 112.312 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 3.2 m -168.08 112.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 37.1 t -59.01 105.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 71.2 p -170.77 113.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.4 t -151.47 172.21 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -163.52 148.24 14.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 26.4 t -164.42 136.71 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 58.7 p -163.24 177.68 8.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 117.39 112.09 2.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.618 HD13 ' N ' ' A' ' 809' ' ' GLN . 0.0 OUTLIER -159.21 144.73 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 111.158 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . 0.618 ' N ' HD13 ' A' ' 808' ' ' ILE . 0.3 OUTLIER -163.94 138.28 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -81.8 139.5 34.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 134.82 56.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -38.86 152.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.1 t -150.57 155.94 40.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 31.0 m -84.24 126.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -158.41 114.49 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -82.22 134.43 35.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -169.32 159.97 9.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -103.19 96.31 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 24.7 t -135.79 145.26 46.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 820' ' ' THR . 10.3 t -169.7 123.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 5.5 p -123.0 177.9 5.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -104.87 -47.68 3.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -44.14 -32.5 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 825' ' ' PHE . 5.2 p -59.94 -44.43 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.441 ' N ' HG13 ' A' ' 824' ' ' VAL . 18.3 t80 -40.63 -41.97 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.95 -61.28 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -49.43 -25.97 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -72.15 -70.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -39.57 -41.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -67.22 -44.68 78.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -54.44 -45.07 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 832' ' ' ILE . 3.6 mp -69.9 -72.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 833' ' ' ASP . 21.0 t0 -39.25 -41.69 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -65.4 -55.46 17.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -51.15 -40.42 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.666 HG23 HD11 ' A' ' 851' ' ' LEU . 55.0 mt -65.44 -57.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 31.6 t -55.55 -31.98 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -74.68 -32.19 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 835' ' ' ALA . 20.5 mt -79.0 -50.75 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.476 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.3 mmm -60.93 -46.22 91.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -51.69 -61.76 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 8.6 mmt -53.4 -38.57 63.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.2 mmm180 -97.26 95.0 7.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.2 mmtm -34.32 -44.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 17.8 m -142.18 124.54 15.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.7 tp -137.13 161.25 36.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 1.2 t -102.13 176.34 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -63.0 -60.88 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -50.08 -46.28 53.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.6 -36.24 83.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.666 HD11 HG23 ' A' ' 836' ' ' ILE . 40.4 tp -69.46 -68.78 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 853' ' ' SER . 21.3 m -41.71 -43.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.503 ' N ' HG23 ' A' ' 852' ' ' VAL . 16.7 t -60.3 -54.11 49.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -54.51 -49.5 70.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.38 -49.21 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.454 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 21.5 m-85 -53.8 -42.6 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -67.66 -31.47 71.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -75.47 -28.94 59.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.4 mt -100.19 124.63 45.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -63.08 -13.93 42.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -123.04 148.46 54.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 147.52 63.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 72.4 t -116.42 129.88 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -56.07 155.26 12.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.7 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.89 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -54.33 -61.49 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -53.94 -62.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.436 HD21 HG12 ' A' ' 852' ' ' VAL . 17.0 tp -41.31 -58.23 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -47.81 -50.86 24.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.23 -41.53 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -62.46 -47.69 82.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.6 mt -56.99 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -43.82 -60.91 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 t -42.87 -59.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 28.0 mt -47.57 -48.1 28.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 881' ' ' MET . 58.2 mt -54.68 -37.49 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.22 -13.37 52.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -88.33 32.01 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.85 48.61 22.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -124.5 -32.26 3.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 876' ' ' ILE . 82.6 mmm -150.25 146.75 26.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -115.98 144.86 43.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -78.78 132.18 36.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -67.57 114.75 6.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -40.39 -33.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.33 -66.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.6 t-20 -135.69 140.21 33.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.747 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.4 Cg_endo -69.81 -6.84 19.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.273 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -79.97 -12.72 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -108.66 140.65 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -133.28 139.04 46.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -109.12 155.69 20.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 68.9 t80 -82.81 135.02 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 881' ' ' MET . 4.8 pt -128.83 -41.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.423 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -35.45 143.57 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 28.7 t -95.32 147.91 22.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -75.76 146.25 33.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 86.33 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 86.8 p -84.38 133.25 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 66.3 m -69.19 -48.86 60.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 73.4 p -162.44 149.86 13.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.887 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.4 t -154.46 161.79 41.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -172.26 121.65 0.89 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 46.9 t -149.71 121.8 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 34.1 t -162.29 164.57 27.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 88.03 43.15 5.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.52 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 18.4 pt -72.47 153.92 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -98.27 164.91 12.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 2.4 ttt -115.74 154.64 29.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 811' ' ' LYS . 0.1 OUTLIER -55.36 97.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -134.87 157.5 46.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 90.4 m -158.94 135.79 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 815' ' ' GLU . 95.8 t -108.11 109.69 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 814' ' ' VAL . 16.3 pt-20 -36.78 135.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 817' ' ' GLN . 23.1 mm-40 -108.56 83.71 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 816' ' ' GLU . 74.4 mt-30 -34.59 -59.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -40.56 147.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.055 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 41.6 m -103.1 117.48 34.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 23.4 p -127.28 133.8 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 31.7 p -108.26 93.74 4.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -86.55 -55.08 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -48.39 -46.46 37.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.91 -52.62 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -54.43 -39.12 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 827' ' ' ASP . 28.1 mt-30 -68.55 -63.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 826' ' ' GLN . 5.6 t0 -34.45 -35.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 831' ' ' GLN . 20.3 tpp85 -65.76 -70.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 7.0 pt20 -40.91 -31.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.44 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 34.6 m-85 -78.23 -37.7 44.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 15.6 mt-30 -60.39 -47.03 87.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 832' ' ' ILE . 3.9 mp -72.74 -54.48 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 875' ' ' LEU . 23.5 t0 -54.08 -36.19 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.25 -50.1 50.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.04 81.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.659 HG23 HD11 ' A' ' 851' ' ' LEU . 57.3 mt -62.41 -59.02 5.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.25 -37.51 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -64.02 -43.06 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.452 HD13 ' HB2' ' A' ' 854' ' ' GLU . 43.9 mt -70.35 -57.04 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.602 ' SD ' HG22 ' A' ' 836' ' ' ILE . 5.3 mtt -55.44 -59.52 4.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 840' ' ' MET . 41.9 tttm -36.53 -58.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.6 mtt -62.6 -38.29 89.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 844' ' ' LYS . 36.2 mmt180 -93.98 96.9 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 843' ' ' ARG . 61.1 mmtt -36.72 -47.64 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.2 m -138.55 123.46 18.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . 0.437 HD22 HG22 ' A' ' 839' ' ' ILE . 9.5 tp -135.57 152.8 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 71.5 m -93.15 176.95 6.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -66.49 -38.56 87.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -67.47 -48.16 67.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.2 -31.44 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.659 HD11 HG23 ' A' ' 836' ' ' ILE . 66.3 tp -68.82 -69.74 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 853' ' ' SER . 33.8 m -45.57 -45.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.51 ' N ' HG23 ' A' ' 852' ' ' VAL . 13.2 t -54.64 -60.67 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . 0.452 ' HB2' HD13 ' A' ' 839' ' ' ILE . 44.8 mm-40 -55.09 -46.68 75.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -52.08 -55.32 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.82 -40.85 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -62.34 -30.89 71.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -82.93 -36.48 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 21.0 mt -89.09 127.49 35.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.59 150.38 45.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 159.44 53.43 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.383 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 80.1 t -120.86 142.23 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -69.12 154.35 95.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.581 0.705 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -36.92 9.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.87 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.23 -52.84 52.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 25.3 tp -45.24 -56.3 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -57.22 -46.1 83.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -55.98 -46.31 78.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -57.83 -53.61 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 71.5 mt -54.8 -67.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -39.59 -57.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 38.8 t -48.49 -58.58 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.47 HD21 ' OD2' ' A' ' 833' ' ' ASP . 58.5 mt -47.97 -45.0 30.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.772 HG23 ' O ' ' A' ' 881' ' ' MET . 30.0 mt -57.09 -38.93 63.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.18 -14.27 55.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -84.82 23.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 59.83 49.51 7.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -124.84 -37.17 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.772 ' O ' HG23 ' A' ' 876' ' ' ILE . 80.1 mmm -144.63 146.36 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 7.5 pt-20 -115.89 141.35 48.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -77.66 117.29 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . 0.485 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 6.9 t0 -53.38 117.51 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -43.95 -36.12 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 11.5 pt-20 -58.64 -43.32 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.476 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 25.9 p30 -165.92 143.73 4.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -0.21 6.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.406 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -82.89 -22.26 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . 0.485 ' NE2' ' OD2' ' A' ' 884' ' ' ASP . 24.0 tt0 -103.81 136.33 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -126.22 136.6 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 46.7 m-80 -108.17 153.28 23.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 38.0 t80 -83.5 134.01 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 895' ' ' ALA . 5.1 pt -127.74 -40.14 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.527 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -35.06 148.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 67.0 m -104.05 -42.02 5.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -160.47 -166.49 19.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -9.16 25.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 46.9 m -40.99 125.81 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 21.5 t -128.6 87.01 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 2.3 t -111.3 151.7 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 92.9 p -132.63 156.22 47.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 165.53 83.14 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 28.9 t -123.12 119.49 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 19.5 m -110.96 -55.2 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 42.26 -158.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 2.8 pp -127.62 161.8 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -172.65 134.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 14.3 ptm -91.34 117.78 29.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -124.19 176.82 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -41.84 162.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 26.5 p -103.0 151.71 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 32.8 m -109.56 144.81 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -153.47 116.07 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -100.05 118.29 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -106.1 116.64 32.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -167.75 168.28 12.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 43.7 m -50.49 168.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 40.8 p -38.12 103.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 824' ' ' VAL . 56.5 m -73.29 109.73 7.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -50.95 -45.11 60.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -39.12 -33.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 821' ' ' THR . 46.4 t -59.87 -47.95 89.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 825' ' ' PHE . 8.6 t80 -41.55 -46.27 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -72.75 -49.58 29.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -45.74 -40.47 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 829' ' ' GLN . 8.0 tmm_? -62.56 -72.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.8 pt20 -41.09 -32.91 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 15.3 m-85 -75.34 -49.12 20.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -52.03 -37.48 53.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.461 HG13 HD11 ' A' ' 859' ' ' LEU . 3.2 mp -75.62 -65.79 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 837' ' ' VAL . 11.2 t0 -43.4 -40.73 3.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -69.45 -57.58 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.474 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -47.25 -36.66 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.525 HG23 HD11 ' A' ' 851' ' ' LEU . 51.1 mt -72.53 -65.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.086 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.59 HG22 HD22 ' A' ' 875' ' ' LEU . 97.2 t -46.06 -27.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -80.77 -53.24 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 835' ' ' ALA . 23.7 mt -58.3 -49.24 82.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.479 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 3.6 mmm -57.91 -37.86 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.413 ' HA ' ' CD1' ' A' ' 893' ' ' TYR . 23.9 ttpp -62.68 -60.37 3.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 10.4 mmm -49.81 -35.61 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -101.56 102.26 12.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -39.76 -32.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 891' ' ' TYR . 38.7 m -151.99 131.2 12.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 851' ' ' LEU . 8.3 tp -143.48 159.17 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 24.9 m -108.84 178.73 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -59.03 -57.29 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -44.9 -63.86 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 850' ' ' LEU . 0.7 OUTLIER -59.21 -41.41 88.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.769 HD21 HG12 ' A' ' 872' ' ' ILE . 10.0 tp -51.45 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.551 HG12 HD21 ' A' ' 868' ' ' LEU . 23.4 m -52.71 -42.96 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 852' ' ' VAL . 6.7 t -50.42 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -54.58 -52.44 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . 0.428 HG21 HG12 ' A' ' 836' ' ' ILE . 36.9 t -48.0 -56.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -51.36 -45.78 62.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -56.87 -34.29 67.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -74.28 -32.38 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 859' ' ' LEU . 4.4 mt -97.18 120.38 37.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.38 -2.09 36.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -118.37 149.34 45.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.78 48.78 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 864' ' ' LYS . 95.8 t -120.18 154.7 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 863' ' ' VAL . 4.4 mtpm? -79.14 150.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -41.35 4.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.85 10.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -55.28 -61.05 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.551 HD21 HG12 ' A' ' 852' ' ' VAL . 17.7 tp -39.31 -59.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -47.62 -54.71 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -51.64 -46.06 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -56.05 -47.24 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . 0.769 HG12 HD21 ' A' ' 851' ' ' LEU . 50.4 mt -54.91 -63.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 874' ' ' SER . 7.2 mm-40 -44.91 -68.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 877' ' ' ASP . 2.5 t -38.46 -67.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.59 HD22 HG22 ' A' ' 837' ' ' VAL . 78.3 mt -39.92 -51.9 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.64 -31.2 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 874' ' ' SER . 2.3 m-20 -86.68 -7.27 58.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 878' ' ' ARG . 8.5 mmm180 -84.03 10.13 10.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 17.7 t70 74.44 25.31 1.67 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -104.68 -34.89 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 58.3 mmm -139.99 160.97 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -134.8 145.68 48.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -78.7 127.75 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 886' ' ' GLU . 38.3 t0 -56.27 114.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -40.83 -27.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.4 mt-10 -68.94 -57.07 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.426 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 3.1 t-20 -144.96 140.23 16.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 54.1 Cg_endo -69.73 -3.78 12.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -84.28 -3.83 58.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -117.31 150.79 38.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.463 ' O ' HG23 ' A' ' 845' ' ' THR . 20.0 m-85 -134.24 141.07 46.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -114.61 148.76 37.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 66.8 t80 -83.28 130.82 35.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 895' ' ' ALA . 2.9 pt -124.55 -38.11 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -36.8 132.59 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 1.8 t -95.51 93.28 7.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -65.57 175.34 16.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 1.9 4.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 56.0 m -41.29 103.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 5.6 t -89.21 -38.51 14.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 3.6 t -169.37 169.95 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 8.5 t -154.78 178.5 10.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -116.43 -154.31 10.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 1.3 t -169.77 176.79 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 27.3 p -165.94 172.0 12.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -178.43 165.83 35.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.62 ' H ' HD13 ' A' ' 808' ' ' ILE . 0.1 OUTLIER -133.7 171.32 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.759 0.314 . . . . 0.0 111.17 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -139.05 142.33 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.7 172.07 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.61 171.96 13.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -144.91 110.55 5.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 23.3 p -74.92 89.93 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 34.5 m -119.01 144.45 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.01 146.16 11.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.32 134.9 40.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -99.94 170.97 8.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -69.93 -51.98 28.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 58.4 m -42.02 143.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 88.6 m -56.3 88.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.527 ' HB ' HG12 ' A' ' 824' ' ' VAL . 7.6 m -70.57 159.82 33.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 821' ' ' THR . 9.2 mm-40 -82.98 -52.2 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 823' ' ' ARG . 4.4 tmm_? -51.34 -55.74 16.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.527 HG12 ' HB ' ' A' ' 821' ' ' THR . 12.6 p -47.37 -36.07 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -70.09 -56.68 6.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 828' ' ' ARG . 43.1 mt-30 -55.79 -23.3 29.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 826' ' ' GLN . 1.2 p-10 -35.32 -33.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 826' ' ' GLN . 46.2 mtt85 -72.05 -68.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.5 pt20 -38.3 -32.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 44.6 m-85 -77.41 -45.61 25.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 828' ' ' ARG . 16.8 mm-40 -57.94 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 832' ' ' ILE . 2.3 mp -73.45 -55.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 837' ' ' VAL . 5.8 t0 -52.37 -41.35 63.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -64.45 -59.27 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.547 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -44.96 -37.67 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.718 HG23 HD11 ' A' ' 851' ' ' LEU . 56.8 mt -70.29 -70.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 833' ' ' ASP . 60.8 t -42.12 -35.74 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -70.67 -55.67 8.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.6 mt -53.82 -44.52 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.434 ' SD ' ' HE2' ' A' ' 881' ' ' MET . 3.4 mmt -58.4 -48.63 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -49.63 -58.33 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 3.8 mmt -56.32 -39.43 72.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.1 mmm180 -108.67 92.8 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.6 mptp? -35.18 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 890' ' ' GLN . 90.7 m -102.79 122.66 44.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 7.5 tp -137.83 160.51 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 73.6 m -100.82 172.84 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -61.44 -58.18 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.28 -44.59 61.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.16 -35.78 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.718 HD11 HG23 ' A' ' 836' ' ' ILE . 44.8 tp -66.81 -67.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.629 HG12 HD21 ' A' ' 868' ' ' LEU . 5.2 m -44.55 -39.93 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 852' ' ' VAL . 29.9 t -59.98 -57.22 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.03 -52.15 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 36.4 t -47.32 -55.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 20.3 m-85 -53.36 -44.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.27 -33.21 69.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -78.86 -35.95 43.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.7 139.37 32.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -84.8 -17.91 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -117.49 147.24 40.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.68 0.752 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 141.5 45.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 94.3 t -119.83 134.15 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -63.53 155.99 73.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.06 24.53 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.52 -66.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.16 -48.0 83.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.629 HD21 HG12 ' A' ' 852' ' ' VAL . 23.8 tp -49.48 -56.45 9.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -51.36 -56.88 10.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -48.28 -43.26 32.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.81 -49.75 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 62.9 mt -54.64 -67.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -41.07 -60.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 877' ' ' ASP . 4.2 t -44.99 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.41 HD21 ' OD2' ' A' ' 833' ' ' ASP . 38.9 mt -38.91 -48.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 881' ' ' MET . 69.8 mt -56.04 -37.84 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 874' ' ' SER . 1.8 t70 -81.84 -9.86 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . 0.453 ' HB2' ' CD2' ' A' ' 880' ' ' TYR . 11.6 mmm180 -82.64 19.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 62.39 29.11 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . 0.453 ' CD2' ' HB2' ' A' ' 878' ' ' ARG . 22.4 m-85 -108.26 -38.69 5.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.6 ' O ' HG23 ' A' ' 876' ' ' ILE . 96.9 mmm -135.48 146.23 47.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -118.78 139.51 51.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -76.07 117.48 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -51.77 130.0 27.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -52.13 -42.7 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 8.6 pt-20 -52.89 -43.14 65.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.48 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 9.4 m120 -167.16 142.93 3.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.96 17.45 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -75.87 -19.32 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 845' ' ' THR . 14.4 tt0 -109.82 131.69 54.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -118.11 144.08 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -115.63 158.35 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.866 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 64.9 t80 -86.22 130.79 34.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 895' ' ' ALA . 4.5 pt -124.26 -31.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.866 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -34.66 129.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 35.5 t -108.38 123.72 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -147.42 163.89 28.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 134.08 27.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.353 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 36.8 p -43.57 -46.09 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 78.2 p -113.09 127.51 56.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 802' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 801' ' ' GLY . 1.8 m 34.92 50.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.892 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 90.4 p -78.96 158.75 27.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 108.75 100.71 2.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 19.0 m -150.05 168.54 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 14.0 m -132.04 137.39 47.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -151.4 49.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 42.5 mm -134.19 111.15 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -111.5 153.38 26.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.24 176.04 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.96 118.23 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -130.43 162.51 28.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 62.8 m -64.24 146.65 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 14.4 p -128.28 137.39 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -103.44 151.0 23.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -92.05 140.44 29.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -120.78 95.75 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -39.95 -56.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 66.4 m -57.31 150.09 18.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 72.4 p -51.64 144.87 10.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 822' ' ' GLU . 19.2 m -158.8 162.44 37.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.148 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.529 ' N ' HG22 ' A' ' 821' ' ' THR . 16.2 mt-10 -96.94 -41.87 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -56.07 -43.67 78.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.86 -20.2 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -69.22 -46.09 68.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -55.33 -40.08 70.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -41.07 -35.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -66.47 -67.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.8 pt20 -41.86 -30.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.3 m-85 -76.56 -48.76 18.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.401 ' HA ' ' NE2' ' A' ' 831' ' ' GLN . 10.0 mm-40 -55.89 -37.64 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.536 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.0 mp -73.95 -56.07 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.88 -34.35 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.44 -54.08 19.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -52.3 -39.99 61.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.703 HG23 HD11 ' A' ' 851' ' ' LEU . 48.8 mt -67.82 -56.58 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 19.9 t -54.35 -31.58 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -72.83 -53.79 10.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 854' ' ' GLU . 26.9 mt -58.98 -53.69 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 4.4 mmm -52.21 -59.04 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 64.8 tttt -42.89 -62.21 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.0 mmt -50.95 -38.27 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.8 mmm180 -99.58 94.96 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 30.5 mmtp -34.33 -44.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 891' ' ' TYR . 31.7 m -139.68 131.2 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 6.0 tp -146.38 157.93 43.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 77.7 p -105.13 -178.97 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -64.12 -63.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.94 -56.57 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.55 -44.01 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.703 HD11 HG23 ' A' ' 836' ' ' ILE . 14.4 tp -55.21 -71.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 853' ' ' SER . 12.2 m -45.14 -43.42 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.6 t -54.93 -61.0 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . 0.508 ' HB2' HD13 ' A' ' 839' ' ' ILE . 35.8 mm-40 -48.93 -53.87 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 49.4 t -47.49 -53.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -51.85 -41.26 61.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -66.95 -30.15 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -76.66 -37.82 55.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.1 131.4 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -70.92 -20.26 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -112.19 146.44 34.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.52 48.21 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.644 2.23 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 95.5 t -117.93 134.58 61.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -61.78 153.53 71.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -31.14 21.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.25 . . . . 0.0 112.349 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.72 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -55.67 -53.56 55.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 17.9 tp -52.33 -56.52 14.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -43.35 -56.81 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -52.06 -53.94 36.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.536 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.7 mmp_? -47.99 -50.9 25.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . 0.513 HG12 HD21 ' A' ' 851' ' ' LEU . 59.9 mt -53.32 -68.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.13 -52.91 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.446 ' C ' ' HD3' ' A' ' 878' ' ' ARG . 57.9 m -48.19 -66.48 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 42.0 mt -41.12 -44.83 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 881' ' ' MET . 33.4 mt -58.36 -38.25 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 874' ' ' SER . 12.5 t0 -82.42 -16.71 48.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . 0.446 ' HD3' ' C ' ' A' ' 874' ' ' SER . 1.9 mpt_? -81.53 12.7 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 68.51 42.76 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -119.33 -29.91 5.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.576 ' O ' HG23 ' A' ' 876' ' ' ILE . 91.1 mmm -146.43 150.94 36.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.26 140.53 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 883' ' ' ARG . 24.9 mtm105 -77.25 146.99 36.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -82.84 123.97 29.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -46.17 -31.21 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.6 pt-20 -63.22 -45.11 93.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.477 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 16.6 m120 -161.97 143.28 8.26 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.445 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 53.3 Cg_endo -69.8 -14.49 36.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -71.88 -20.77 61.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -101.94 143.1 32.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.518 ' O ' HG23 ' A' ' 845' ' ' THR . 13.8 m-85 -134.89 152.65 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.444 ' O ' ' HE3' ' A' ' 881' ' ' MET . 18.8 m-80 -120.19 165.08 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 53.6 t80 -92.26 121.23 33.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 895' ' ' ALA . 8.3 pt -115.92 -41.05 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.447 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -35.64 143.85 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 2.2 t -111.34 123.53 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -72.8 -157.38 3.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.0 36.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 89.5 p -59.97 121.11 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 2.7 t -39.88 -54.6 2.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 99.0 p -159.61 166.29 31.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 34.9 p -155.71 159.78 39.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -124.6 -174.97 14.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 2.9 t -150.56 170.0 20.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 55.1 p -119.36 -49.4 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 95.27 160.06 33.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 808' ' ' ILE . 2.7 pp -115.33 167.79 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -118.17 104.49 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -100.57 161.21 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 811' ' ' LYS . 0.0 OUTLIER -170.82 158.8 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.96 149.1 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 54.7 p -56.4 170.39 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 86.1 t -123.1 132.62 71.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.84 134.61 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -144.3 148.82 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -53.81 -44.8 70.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -74.0 127.0 31.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 24.8 m -57.22 137.46 55.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 13.8 t -93.25 146.39 23.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 20.6 p -51.93 133.93 31.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -87.78 -59.01 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 825' ' ' PHE . 37.5 ttm-85 -53.91 -55.18 29.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 69.9 t -39.25 -25.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 823' ' ' ARG . 81.8 t80 -84.69 -68.86 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 827' ' ' ASP . 0.0 OUTLIER -48.63 -44.93 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.5 ' N ' ' OE1' ' A' ' 826' ' ' GLN . 5.2 t70 -52.41 -44.78 65.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -56.44 -66.59 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 10.0 pt20 -44.23 -32.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.482 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 25.1 m-85 -77.78 -39.41 44.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -58.41 -49.67 76.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.3 mp -68.76 -53.08 29.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.455 ' OD2' HD21 ' A' ' 875' ' ' LEU . 12.8 t0 -55.48 -40.35 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -63.33 -47.51 81.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.547 ' HB1' HE21 ' A' ' 858' ' ' GLN . . . -56.62 -39.21 73.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.583 HG23 HD11 ' A' ' 851' ' ' LEU . 75.1 mt -64.91 -67.5 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 92.3 t -40.42 -45.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -61.41 -47.14 87.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 835' ' ' ALA . 18.9 mt -63.95 -51.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE3' ' HG3' ' A' ' 881' ' ' MET . 3.5 mmt -55.06 -49.77 70.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -49.88 -63.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 6.7 mtt -55.44 -40.56 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 844' ' ' LYS . 63.5 mmt-85 -103.81 85.61 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 843' ' ' ARG . 0.0 OUTLIER -34.25 -66.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.2 m -109.05 126.74 53.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 850' ' ' LEU . 8.6 tp -146.06 153.78 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 72.6 m -101.21 147.59 26.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -38.46 -45.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -45.15 -65.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.474 HD23 HD11 ' A' ' 846' ' ' LEU . 9.7 mp -62.5 -45.84 91.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.583 HD11 HG23 ' A' ' 836' ' ' ILE . 24.4 tp -40.31 -62.89 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 1.136 HG12 HD21 ' A' ' 868' ' ' LEU . 28.1 m -60.66 -43.13 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.9 m -50.21 -55.24 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -54.76 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 61.0 t -42.43 -53.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.401 ' CE2' ' HB ' ' A' ' 852' ' ' VAL . 35.7 m-85 -57.79 -41.64 82.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -62.6 -30.52 71.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . 0.547 HE21 ' HB1' ' A' ' 835' ' ' ALA . 20.4 mt-30 -82.09 -39.31 23.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.7 mt -88.41 130.16 35.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -71.13 -27.57 63.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -105.5 147.03 33.93 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.03 59.11 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.632 2.221 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.6 131.87 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -60.57 158.36 31.17 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.551 0.691 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -44.36 -62.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . 0.458 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 6.4 m-20 -54.41 -59.5 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 1.136 HD21 HG12 ' A' ' 852' ' ' VAL . 15.5 tp -41.55 -59.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -46.08 -51.44 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 51.6 mtmt -55.74 -44.76 77.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 5.7 mmp_? -59.84 -52.13 66.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . 0.439 HG12 HD21 ' A' ' 851' ' ' LEU . 56.8 mt -57.53 -64.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -47.34 -58.04 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 8.7 t -47.79 -58.21 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.455 HD21 ' OD2' ' A' ' 833' ' ' ASP . 47.3 mt -47.34 -51.56 19.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 881' ' ' MET . 65.8 mt -51.81 -40.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -78.57 -14.09 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . 0.465 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 51.0 mtt180 -84.64 29.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 4.2 t70 54.27 47.58 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . 0.465 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 41.0 m-85 -124.62 -39.26 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.659 ' O ' HG23 ' A' ' 876' ' ' ILE . 94.7 mmm -138.91 154.25 48.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.1 pt-20 -126.86 137.14 53.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -75.97 115.82 16.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.89 123.42 11.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -45.54 -47.86 14.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 6.6 pt-20 -45.87 -37.56 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 9.1 m120 -173.43 142.06 0.95 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.725 . . . . 0.0 110.921 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.6 3.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -82.32 -35.47 27.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -93.93 134.31 36.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -118.66 150.55 39.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.445 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 14.4 m-80 -120.57 153.65 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -84.67 115.64 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 895' ' ' ALA . 11.0 pt -109.25 -41.04 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 880' ' ' TYR . . . -36.13 -55.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 9.5 t 50.93 42.51 28.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -136.61 145.79 17.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 144.32 53.82 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 3.9 m -115.53 176.84 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 51.9 m -154.7 162.77 40.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.525 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 95.1 p -171.39 159.76 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 2.2 m -170.7 176.11 4.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -136.9 170.24 23.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 2.1 m -173.73 176.52 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 82.9 p -163.47 164.13 24.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -178.15 176.39 47.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 32.9 mt -135.21 137.66 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 111.14 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -125.39 139.98 53.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -174.48 149.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -164.88 149.56 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.32 129.51 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 24.0 m -130.0 151.11 50.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 2.8 p -102.92 144.07 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -142.07 142.59 32.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -53.91 103.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -129.68 141.96 50.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -71.51 176.08 5.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 50.7 m -77.6 104.98 8.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 9.1 t -90.42 141.65 28.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 81.1 p -69.78 101.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -99.67 -51.93 3.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -42.15 -52.7 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 825' ' ' PHE . 7.8 p -49.46 -43.45 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.465 ' N ' HG13 ' A' ' 824' ' ' VAL . 5.5 t80 -63.3 -52.6 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.516 ' O ' ' CD2' ' A' ' 830' ' ' TYR . 95.8 mt-30 -40.12 -39.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.08 -54.13 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 831' ' ' GLN . 44.2 mmm-85 -52.88 -69.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.6 pt20 -39.74 -38.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 826' ' ' GLN . 10.1 m-85 -67.61 -43.2 81.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 828' ' ' ARG . 45.2 mm-40 -57.08 -48.58 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.0 mp -70.82 -55.45 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 837' ' ' VAL . 26.2 t0 -55.01 -35.03 63.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -68.91 -53.68 19.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.25 -43.85 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.98 HG23 HD11 ' A' ' 851' ' ' LEU . 72.6 mt -61.28 -57.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 833' ' ' ASP . 96.8 t -53.9 -48.05 63.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -53.31 -61.59 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.559 HD13 ' CB ' ' A' ' 854' ' ' GLU . 31.6 mt -52.69 -47.92 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.577 ' SD ' HG22 ' A' ' 836' ' ' ILE . 14.7 mtt -56.1 -61.98 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 6.2 ttpm? -39.32 -65.73 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 28.0 mmt -48.12 -38.41 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 49.4 mmt-85 -100.97 92.95 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 33.6 mmtm -34.33 -43.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.537 HG21 ' NE2' ' A' ' 890' ' ' GLN . 97.2 m -139.86 125.04 18.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 11.6 tp -137.91 155.27 49.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 37.1 p -93.83 171.56 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -64.63 -46.7 81.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -56.25 -55.44 33.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.16 -32.84 73.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.98 HD11 HG23 ' A' ' 836' ' ' ILE . 18.4 tp -66.08 -69.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.437 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 17.2 m -48.18 -39.38 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 852' ' ' VAL . 8.1 t -60.3 -64.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . 0.559 ' CB ' HD13 ' A' ' 839' ' ' ILE . 42.1 mm-40 -47.07 -49.3 21.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 74.5 t -48.24 -56.25 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.592 ' OH ' HD22 ' A' ' 868' ' ' LEU . 28.7 m-85 -52.19 -41.7 62.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -62.16 -34.51 76.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -75.85 -37.58 58.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 18.1 mt -88.95 139.92 29.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.39 -25.29 54.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -112.81 147.81 37.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.61 62.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.346 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 87.3 t -124.25 126.22 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -52.68 158.93 1.91 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.24 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.326 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -50.48 -59.45 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -57.83 -64.41 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.592 HD22 ' OH ' ' A' ' 856' ' ' TYR . 14.3 tp -38.2 -51.03 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -55.17 -47.26 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -54.64 -55.99 23.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.429 ' N ' ' NE ' ' A' ' 871' ' ' ARG . 0.0 OUTLIER -48.34 -44.72 34.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.69 -58.48 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -52.83 -55.96 19.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 16.9 m -46.01 -53.49 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.587 HD21 ' OD1' ' A' ' 833' ' ' ASP . 42.6 mt -52.34 -52.9 50.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 881' ' ' MET . 73.1 mt -51.4 -39.22 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -75.4 -20.98 58.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -83.14 12.18 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 45.6 t0 69.24 34.17 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -100.27 -32.91 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.472 ' O ' HG23 ' A' ' 876' ' ' ILE . 75.0 mmm -147.42 160.11 42.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 10.4 pt-20 -129.84 148.85 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . 0.453 ' NE ' ' HB3' ' A' ' 888' ' ' PRO . 5.3 mtp-105 -76.48 111.23 11.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . 0.49 ' OD2' ' NE2' ' A' ' 890' ' ' GLN . 62.3 t0 -51.69 120.2 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.05 -25.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 884' ' ' ASP . 6.7 mt-10 -70.05 -44.06 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 884' ' ' ASP . 54.8 m-20 -168.99 152.36 5.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.695 0.759 . . . . 0.0 110.828 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.541 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.1 Cg_endo -69.77 -21.43 33.45 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -64.8 -33.37 75.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . 0.537 ' NE2' HG21 ' A' ' 845' ' ' THR . 34.0 tt0 -92.4 129.29 38.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.541 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 21.6 m-85 -116.22 138.04 51.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.446 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 4.0 m-80 -105.13 148.54 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.535 ' CZ ' ' O ' ' A' ' 895' ' ' ALA . 10.4 t80 -80.28 128.49 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.59 -26.76 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.193 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.535 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . -67.32 88.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 5.3 t -46.86 -29.12 1.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . 157.73 -161.83 31.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.507 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -166.4 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.385 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 14.8 m -69.51 83.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 47.1 t -117.8 145.39 44.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 5.0 t -111.54 42.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.2 m -152.59 154.7 35.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -106.53 -172.69 23.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 15.8 t -160.53 123.24 3.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 19.9 m -63.29 155.38 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -91.22 148.18 19.21 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.434 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 808' ' ' ILE . 2.7 pp -77.28 149.38 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -107.54 162.6 13.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.71 130.26 56.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -158.77 133.41 8.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -162.47 113.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 44.4 p -110.46 155.47 22.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 90.0 t -107.27 121.49 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -161.61 121.86 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -112.97 82.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -150.64 151.01 31.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -94.72 105.16 17.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 1.2 t -173.05 121.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 51.7 m -61.8 135.62 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.133 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 822' ' ' GLU . 27.8 m -147.93 144.05 27.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 821' ' ' THR . 28.0 tp10 -34.57 -58.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.51 -54.39 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 90.7 t -48.78 -45.47 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -52.67 -53.63 44.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 827' ' ' ASP . 11.6 mm-40 -41.99 -55.85 3.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.95 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 826' ' ' GLN . 10.6 t70 -34.5 -36.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 826' ' ' GLN . 22.0 ttm-85 -67.55 -70.4 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 4.6 pt20 -39.51 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 35.2 m-85 -74.26 -45.26 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.435 ' HB3' HD22 ' A' ' 859' ' ' LEU . 56.5 mm-40 -55.29 -43.65 74.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.556 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.2 mp -69.14 -57.51 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.727 ' OD1' HD21 ' A' ' 875' ' ' LEU . 2.0 t0 -50.45 -51.55 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -56.17 -47.14 78.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.411 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -60.81 -44.22 97.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.644 HG23 HD11 ' A' ' 851' ' ' LEU . 90.7 mt -61.33 -59.42 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 83.8 t -47.83 -50.58 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -56.2 -53.84 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 835' ' ' ALA . 18.8 mt -55.98 -60.71 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.554 ' SD ' HG22 ' A' ' 836' ' ' ILE . 7.8 mtt -53.8 -60.2 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 840' ' ' MET . 46.9 tttt -35.41 -52.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.9 mmt -66.15 -40.32 90.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.7 mmm180 -99.06 95.77 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 843' ' ' ARG . 1.0 OUTLIER -34.33 -55.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 99.5 m -124.52 134.44 53.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.1 tp -148.59 149.36 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 52.0 p -91.64 172.83 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.14 -60.14 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -44.53 -54.25 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.37 -42.48 92.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.644 HD11 HG23 ' A' ' 836' ' ' ILE . 49.1 tp -55.8 -62.41 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 853' ' ' SER . 34.1 m -52.51 -41.28 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.444 ' N ' HG23 ' A' ' 852' ' ' VAL . 45.3 t -52.03 -60.73 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -51.74 -55.21 21.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.41 -55.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -56.51 -44.93 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -52.9 -34.26 54.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -82.59 -39.82 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 15.7 mt -88.05 115.74 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -85.61 26.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . 0.716 ' CE2' HG22 ' A' ' 863' ' ' VAL . 13.4 p90 -136.4 152.91 75.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.8 28.82 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.716 HG22 ' CE2' ' A' ' 861' ' ' PHE . 95.4 t -130.39 118.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -49.84 154.81 1.68 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.05 8.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.37 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.11 -52.67 62.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -56.5 -58.58 7.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.1 tp -42.99 -57.32 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -54.04 -54.03 44.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -47.77 -53.48 15.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 829' ' ' GLN . 31.2 mmm180 -53.53 -49.31 67.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 70.7 mt -54.01 -52.76 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -53.64 -60.44 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 61.6 m -41.24 -54.46 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.727 HD21 ' OD1' ' A' ' 833' ' ' ASP . 31.3 mt -51.41 -53.39 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 78.5 mt -48.82 -46.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -76.34 -12.64 60.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 34.1 mtt180 -86.14 31.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.66 48.21 23.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.9 m-85 -125.37 -37.74 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.546 ' HE1' ' HB3' ' A' ' 840' ' ' MET . 78.2 mmm -141.8 161.38 38.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.6 pt-20 -130.94 137.71 49.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -76.01 119.75 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -53.58 123.93 13.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -45.99 -35.57 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.35 -49.51 71.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.2 t-20 -156.54 139.83 11.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.5 Cg_endo -69.75 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -72.98 -39.95 65.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.19 116.09 28.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -100.19 149.32 23.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.441 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 54.4 m-20 -117.72 148.76 41.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 22.6 t80 -81.48 127.41 32.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 5.2 pt -120.43 -34.49 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -54.62 159.46 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 89.4 p -140.41 113.27 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -100.54 143.38 16.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 97.02 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.316 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 29.0 t -55.78 130.8 44.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 34.9 p -124.3 126.8 46.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 20.7 t -44.21 109.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 70.4 p -86.56 149.32 25.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 136.67 53.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 38.5 t -87.5 141.71 28.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 72.5 p -118.67 177.47 4.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 177.8 89.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . 0.557 ' C ' HD12 ' A' ' 808' ' ' ILE . 2.6 pp -65.43 172.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -145.62 117.85 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 27.6 mmt -54.5 146.76 15.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.49 122.06 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -118.11 112.03 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 7.6 p -77.1 -5.8 50.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 87.2 t -139.54 112.43 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.69 153.99 18.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -106.11 -46.92 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -139.76 143.98 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -56.08 98.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 59.1 m -73.18 131.93 42.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 65.3 p -69.18 110.96 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 22.5 m -140.18 141.07 36.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 824' ' ' VAL . 30.6 mt-10 -71.64 -43.88 65.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 823' ' ' ARG . 5.5 mmm180 -36.77 -33.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 822' ' ' GLU . 3.4 t -65.15 -56.36 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -50.27 -21.59 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 827' ' ' ASP . 55.8 mt-30 -92.79 -43.62 8.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 826' ' ' GLN . 3.0 t70 -35.07 -35.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 832' ' ' ILE . 68.7 mtm180 -72.01 -74.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.0 pt20 -39.49 -38.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.407 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 28.6 m-85 -72.46 -38.42 68.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 828' ' ' ARG . 6.8 mm-40 -60.93 -45.68 93.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.2 mp -69.06 -55.99 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.5 ' CG ' HD21 ' A' ' 875' ' ' LEU . 7.5 t0 -56.17 -40.4 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -61.35 -52.11 66.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.01 -45.13 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.623 HG23 HD11 ' A' ' 851' ' ' LEU . 54.4 mt -60.9 -66.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.575 HG22 HD22 ' A' ' 875' ' ' LEU . 99.4 t -45.59 -36.02 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.86 -56.43 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.439 HD13 ' CB ' ' A' ' 854' ' ' GLU . 39.7 mt -54.95 -55.23 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.461 ' HB3' ' CE ' ' A' ' 881' ' ' MET . 4.2 mmm -51.2 -48.25 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -50.99 -52.75 39.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 4.4 mmt -60.1 -44.07 95.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.481 ' HG3' HD13 ' A' ' 846' ' ' LEU . 15.3 mmm180 -91.81 94.68 9.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.0 mmmp? -34.78 -36.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 891' ' ' TYR . 89.2 m -146.61 124.14 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . 0.481 HD13 ' HG3' ' A' ' 843' ' ' ARG . 6.0 tp -139.99 152.51 46.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.2 t -102.01 -178.48 3.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -63.13 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -41.43 -57.01 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 -38.96 86.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.623 HD11 HG23 ' A' ' 836' ' ' ILE . 33.9 tp -61.23 -68.94 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.8 HG12 HD21 ' A' ' 868' ' ' LEU . 32.8 m -44.04 -42.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.45 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.1 t -54.92 -60.19 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . 0.439 ' CB ' HD13 ' A' ' 839' ' ' ILE . 20.9 mm-40 -51.77 -53.83 35.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 42.0 t -47.37 -52.96 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.487 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 27.7 m-85 -53.85 -41.83 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -64.04 -29.45 70.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -79.64 -41.58 26.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 15.1 mt -86.3 132.13 34.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -74.0 -15.54 61.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -119.87 146.31 41.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.61 54.85 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 79.4 t -111.54 141.73 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -64.72 156.11 79.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -42.33 3.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.26 . . . . 0.0 112.355 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -53.95 -66.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . 0.413 ' HA ' ' CE ' ' A' ' 870' ' ' LYS . 34.4 m-20 -52.11 -55.73 18.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.8 HD21 HG12 ' A' ' 852' ' ' VAL . 14.2 tp -44.81 -51.13 9.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -54.53 -56.3 20.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' A' ' 867' ' ' ASP . 33.7 mtmt -51.1 -47.72 61.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -54.35 -46.37 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.3 -65.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.93 -61.4 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 877' ' ' ASP . 47.4 p -42.56 -67.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.575 HD22 HG22 ' A' ' 837' ' ' VAL . 59.9 mt -39.36 -51.31 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.95 -36.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 874' ' ' SER . 5.1 t70 -84.8 -9.23 58.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -80.26 12.92 2.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 879' ' ' ASP . 0.4 OUTLIER 68.58 35.08 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . 0.455 ' C ' ' CG1' ' A' ' 894' ' ' ILE . 23.2 m-85 -116.99 -33.95 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 840' ' ' MET . 90.7 mmm -135.84 166.55 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.2 pt-20 -142.63 139.94 31.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -76.06 121.77 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 886' ' ' GLU . 45.5 t0 -49.07 112.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 884' ' ' ASP . 17.9 mmtm -37.55 -28.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 884' ' ' ASP . 5.7 mt-10 -69.51 -60.94 2.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -143.48 140.9 18.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.74 7.35 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.732 2.288 . . . . 0.0 112.294 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.16 -23.48 43.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -107.5 143.12 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.412 ' O ' HG23 ' A' ' 845' ' ' THR . 8.9 m-85 -123.65 145.8 48.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.46 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 25.2 m-80 -117.22 160.61 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 55.1 t80 -90.52 132.85 35.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.455 ' CG1' ' C ' ' A' ' 880' ' ' TYR . 1.7 pt -123.73 -42.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.565 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -36.65 128.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 65.2 m -99.21 87.36 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -112.71 146.23 18.27 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 112.38 3.07 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.372 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 39.4 t -61.63 135.05 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 45.0 m -144.5 124.0 13.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 11.9 t -128.2 172.49 10.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 37.1 t -65.37 156.23 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 131.43 -42.12 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 47.6 t -94.26 -59.03 2.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 3.1 m -85.15 105.63 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.808 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -144.81 85.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 72.5 mt -74.63 105.0 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.321 . . . . 0.0 111.095 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -167.96 129.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 11.2 tpp -150.86 123.27 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.33 87.32 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -113.22 116.1 29.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 74.9 p -126.97 130.46 50.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 33.1 m -121.11 40.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -148.7 147.63 29.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -110.8 109.91 20.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -129.36 104.4 7.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -96.26 83.85 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 34.2 m -148.01 174.64 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 90.2 m -103.08 96.95 7.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 822' ' ' GLU . 1.6 t -110.68 172.71 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 821' ' ' THR . 36.9 mt-10 -34.55 -64.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 823' ' ' ARG . 19.6 mtm105 -47.91 -54.47 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 825' ' ' PHE . 97.2 t -52.92 -59.6 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 824' ' ' VAL . 1.9 t80 -35.7 -51.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 827' ' ' ASP . 22.6 mt-30 -68.12 -54.3 19.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 826' ' ' GLN . 4.3 m-20 -36.61 -35.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 831' ' ' GLN . 11.1 mmt85 -67.15 -72.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 2.0 pt20 -39.58 -30.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.463 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -78.02 -39.54 41.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 828' ' ' ARG . 26.8 mm-40 -61.13 -46.31 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.579 ' N ' HD12 ' A' ' 832' ' ' ILE . 3.0 mp -70.77 -54.97 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -57.31 -40.51 78.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 830' ' ' TYR . . . -59.85 -57.95 10.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -51.03 -37.13 43.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.488 HG22 ' SD ' ' A' ' 840' ' ' MET . 71.9 mt -67.21 -63.68 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.79 -46.02 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -61.08 -64.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 835' ' ' ALA . 24.9 mt -45.99 -56.75 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.488 ' SD ' HG22 ' A' ' 836' ' ' ILE . 22.3 mtt -51.96 -57.78 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 893' ' ' TYR . 27.6 tptt -37.41 -64.18 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 16.5 mmt -54.96 -43.8 73.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 15.9 mmp_? -97.38 94.47 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.459 ' N ' ' HE3' ' A' ' 844' ' ' LYS . 0.0 OUTLIER -35.02 -53.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 891' ' ' TYR . 91.2 m -125.99 135.65 52.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.3 tp -147.25 149.83 33.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 848' ' ' HIS . 71.3 p -103.59 150.58 23.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . 0.645 ' NE2' HG11 ' A' ' 852' ' ' VAL . 25.7 t60 -35.42 -53.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -45.49 -57.65 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 850' ' ' LEU . 3.5 mm? -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.479 HD11 HG23 ' A' ' 836' ' ' ILE . 57.0 tp -46.55 -72.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.645 HG11 ' NE2' ' A' ' 848' ' ' HIS . 16.1 m -45.11 -44.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.508 ' N ' HG23 ' A' ' 852' ' ' VAL . 5.6 t -55.99 -65.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -49.4 -47.36 47.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 52.9 t -49.27 -53.37 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 35.1 m-85 -55.45 -42.87 74.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -59.86 -32.01 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -83.44 -36.89 23.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.29 128.62 35.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -28.21 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -113.06 151.12 43.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.635 0.731 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 69.8 t -124.89 134.86 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -60.7 158.89 28.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.7 10.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.74 -60.45 3.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.39 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 60.8 tp -43.56 -56.34 3.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.52 -60.97 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -43.41 -42.84 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.414 ' HG3' HG21 ' A' ' 832' ' ' ILE . 13.1 mmp_? -63.23 -50.08 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.04 -62.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -46.71 -59.11 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 3.2 m -41.75 -59.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 836' ' ' ILE . 34.7 mt -45.96 -50.01 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 881' ' ' MET . 57.9 mt -53.56 -39.56 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.7 -17.29 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -80.26 11.07 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 69.34 46.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -120.13 -34.31 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.56 ' O ' HG23 ' A' ' 876' ' ' ILE . 52.6 mmm -142.02 150.25 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -117.41 137.0 52.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -76.08 115.38 15.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.42 126.4 17.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 886' ' ' GLU . 0.0 OUTLIER -47.99 -30.23 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.471 ' HG3' ' ND2' ' A' ' 887' ' ' ASN . 6.5 pt-20 -63.74 -42.95 97.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.471 ' ND2' ' HG3' ' A' ' 886' ' ' GLU . 17.8 p30 -169.02 143.46 2.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -4.36 13.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.285 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -75.65 -27.35 58.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -99.47 133.63 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.434 ' CE1' HD11 ' A' ' 876' ' ' ILE . 22.0 m-85 -119.66 141.33 49.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -115.12 149.8 37.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.582 ' CE2' ' HD2' ' A' ' 841' ' ' LYS . 6.9 t80 -80.07 126.48 31.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 3.7 pt -120.51 -33.19 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.417 ' O ' ' CE2' ' A' ' 893' ' ' TYR . . . -67.6 142.01 56.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 3.6 t -89.38 -54.88 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . 135.23 -95.17 0.25 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 90.51 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.326 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 77.2 p -158.81 160.15 35.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 93.3 p -158.17 162.6 37.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 34.7 t -164.25 146.7 9.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 8.5 t -50.95 127.89 19.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -171.5 -140.87 3.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 26.3 m 59.59 42.41 17.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 57.1 p -53.58 117.06 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 68.3 -150.98 51.47 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.455 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 13.4 pt -125.32 41.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -53.75 158.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 12.0 mmt -135.37 142.18 45.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -113.68 143.07 45.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 28.1 mp0 -92.53 175.62 6.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 55.0 p -120.55 141.94 49.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 814' ' ' VAL . 32.6 m -105.91 125.62 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -76.38 94.96 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -138.4 153.37 48.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -117.48 102.16 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -126.89 168.12 14.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 88.9 p -82.54 -52.59 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 68.4 p -88.63 129.99 35.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 824' ' ' VAL . 10.1 t -149.42 -179.8 7.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -101.02 -38.89 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -59.65 -22.26 61.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.441 ' H ' HG23 ' A' ' 821' ' ' THR . 8.8 p -72.23 -6.94 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 825' ' ' PHE . 1.7 t80 -83.64 -41.22 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 827' ' ' ASP . 31.9 mm-40 -65.48 -53.59 40.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 826' ' ' GLN . 5.5 t0 -34.24 -37.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 831' ' ' GLN . 21.4 ttp180 -61.24 -72.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.8 pt20 -39.57 -33.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.477 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 38.5 m-85 -72.31 -39.46 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 828' ' ' ARG . 31.7 mt-30 -64.31 -32.01 73.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.664 HG21 ' HG3' ' A' ' 871' ' ' ARG . 2.2 mp -73.59 -60.1 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.483 ' O ' HG23 ' A' ' 837' ' ' VAL . 0.1 OUTLIER -53.35 -45.48 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . 0.479 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.92 -55.66 32.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.459 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -52.48 -43.61 65.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 851' ' ' LEU . 81.2 mt -59.02 -58.94 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 833' ' ' ASP . 78.8 t -48.78 -53.56 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -55.39 -57.87 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.7 mt -50.24 -59.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.561 ' HE1' HD22 ' A' ' 851' ' ' LEU . 2.5 mmt -53.05 -43.22 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.49 ' HA ' ' CE1' ' A' ' 893' ' ' TYR . 3.1 ttmp? -53.49 -59.7 4.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 84.4 mmm -55.51 -41.88 73.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 844' ' ' LYS . 16.2 mmm180 -95.24 97.93 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 843' ' ' ARG . 31.4 mmtm -34.49 -51.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 98.8 m -133.14 133.16 42.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . 0.448 ' HG ' ' CB ' ' A' ' 850' ' ' LEU . 9.5 tp -141.23 146.09 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 848' ' ' HIS . 70.4 m -94.08 147.67 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 847' ' ' SER . 26.7 t60 -34.88 -55.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.17 -51.48 57.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 846' ' ' LEU . 3.7 mm? -61.43 -34.5 75.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.561 HD22 ' HE1' ' A' ' 840' ' ' MET . 25.5 tp -64.51 -65.99 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.408 ' O ' ' CD2' ' A' ' 856' ' ' TYR . 35.5 m -47.51 -38.19 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 1.5 t -61.94 -57.2 12.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . 0.429 ' CB ' HG21 ' A' ' 839' ' ' ILE . 13.1 mm-40 -52.11 -56.51 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.92 -57.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 18.1 m-85 -50.49 -38.96 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -62.83 -35.98 81.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -79.71 -30.08 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 859' ' ' LEU . 5.5 mt -100.94 118.55 37.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 15.25 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -133.28 150.19 74.6 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 140.46 42.66 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 75.7 t -120.81 122.13 67.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -48.02 153.13 1.24 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.549 0.69 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -32.81 18.01 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.677 2.251 . . . . 0.0 112.399 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -65.76 -48.84 70.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.35 -47.88 66.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 20.6 tp -51.95 -62.9 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . 0.413 ' HA ' HD12 ' A' ' 872' ' ' ILE . 1.1 mmmm -52.34 -50.62 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -52.31 -48.28 65.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.664 ' HG3' HG21 ' A' ' 832' ' ' ILE . 10.2 mmp_? -56.79 -42.15 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . 0.559 HG12 HD21 ' A' ' 851' ' ' LEU . 64.7 mt -62.02 -64.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -48.8 -60.48 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 877' ' ' ASP . 16.3 p -42.03 -66.74 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 837' ' ' VAL . 42.8 mt -38.99 -51.57 1.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.892 HG23 ' O ' ' A' ' 881' ' ' MET . 78.8 mt -53.39 -37.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 874' ' ' SER . 38.6 t70 -77.28 -17.5 58.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 880' ' ' TYR . 1.0 OUTLIER -84.56 26.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 39.0 t70 56.29 31.95 19.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 878' ' ' ARG . 17.7 m-85 -100.97 -37.11 8.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.892 ' O ' HG23 ' A' ' 876' ' ' ILE . 73.6 mmm -146.76 142.74 28.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -116.39 139.86 49.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -77.28 137.08 38.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -81.17 147.69 29.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -72.1 -40.56 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 887' ' ' ASN . 5.4 pt-20 -48.55 -38.4 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 886' ' ' GLU . 8.6 m120 -162.28 136.66 5.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.619 0.723 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -4.26 13.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.57 25.29 8.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -130.83 123.74 29.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -113.29 131.02 56.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -104.18 151.19 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.49 ' CE1' ' HA ' ' A' ' 841' ' ' LYS . 61.0 t80 -84.18 130.51 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 2.8 pt -126.41 -36.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.436 ' O ' ' CZ ' ' A' ' 893' ' ' TYR . . . -43.94 108.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 60.8 m -91.96 30.77 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -68.64 149.61 49.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 135.94 31.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 57.8 p -105.31 147.75 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 3.1 m -40.64 -54.99 2.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 1.3 t -88.79 140.02 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.816 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 16.8 t -138.77 159.5 41.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 45.2 -140.76 4.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 3.7 m 50.21 42.05 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 30.0 t -98.91 -44.3 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 177.05 107.98 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 10.7 pt -66.21 146.09 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.74 0.305 . . . . 0.0 111.113 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -80.47 106.49 12.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -127.38 106.2 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -98.54 89.23 4.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -102.27 145.96 28.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.2 t -115.65 146.22 42.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.86 132.77 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -105.84 171.28 7.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 817' ' ' GLN . 9.6 pt-20 -99.46 -41.72 7.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . 0.446 ' N ' ' HG3' ' A' ' 816' ' ' GLU . 24.3 mt-30 -127.89 163.83 23.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -165.91 155.38 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.046 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 44.6 t -99.36 84.87 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 31.4 m -125.02 124.91 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.589 ' O ' HG12 ' A' ' 824' ' ' VAL . 85.7 m -105.78 145.38 31.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -66.22 -45.48 80.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . 0.415 ' H ' HG22 ' A' ' 821' ' ' THR . 10.5 tpp85 -44.3 -47.97 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 821' ' ' THR . 10.8 p -73.31 -22.75 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -69.7 -56.84 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 830' ' ' TYR . 1.6 tp60 -53.12 -57.81 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -51.31 -45.64 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 831' ' ' GLN . 40.2 ttt180 -58.11 -69.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 3.2 pt20 -39.26 -35.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 10.0 m-85 -72.13 -42.29 66.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 828' ' ' ARG . 44.6 mt-30 -56.66 -45.24 81.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.515 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.3 mp -70.45 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.404 ' CG ' ' HD3' ' A' ' 871' ' ' ARG . 16.2 m-20 -49.8 -48.59 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.27 -52.54 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . 0.562 ' O ' HD12 ' A' ' 839' ' ' ILE . . . -54.46 -44.14 72.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.646 HG23 HD11 ' A' ' 851' ' ' LEU . 73.3 mt -62.5 -56.02 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 875' ' ' LEU . 53.8 t -55.08 -48.99 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -57.43 -46.76 83.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 835' ' ' ALA . 19.4 mt -63.39 -56.81 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.424 ' HE1' HD22 ' A' ' 851' ' ' LEU . 3.3 mmm -54.31 -44.03 71.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 893' ' ' TYR . 27.2 ttmt -54.34 -52.59 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.83 -48.87 79.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 844' ' ' LYS . 21.7 mmm180 -90.88 99.13 12.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 843' ' ' ARG . 17.4 mmtp -34.49 -44.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 58.6 m -140.65 128.11 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 851' ' ' LEU . 8.7 tp -142.21 152.61 43.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 35.6 p -94.79 178.7 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . 0.573 ' O ' HG22 ' A' ' 852' ' ' VAL . 10.7 t60 -66.32 -49.33 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -53.27 -57.58 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 850' ' ' LEU . 4.2 mm? -63.44 -35.75 81.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.646 HD11 HG23 ' A' ' 836' ' ' ILE . 16.4 tp -60.46 -70.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.644 ' CG1' HD21 ' A' ' 868' ' ' LEU . 28.0 m -47.9 -38.44 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 15.8 t -55.97 -58.8 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -54.95 -47.44 74.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 83.7 t -50.4 -57.7 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 852' ' ' VAL . 32.9 m-85 -50.65 -45.54 57.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -57.12 -34.28 68.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -79.76 -35.85 38.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 831' ' ' GLN . 21.5 mt -89.25 126.44 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -63.69 -25.15 68.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -116.45 151.75 47.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.25 19.34 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.76 140.13 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -67.24 160.59 70.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.689 . . . . 0.0 110.944 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -52.28 -58.94 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 868' ' ' LEU . 24.2 m-20 -60.05 -61.55 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.644 HD21 ' CG1' ' A' ' 852' ' ' VAL . 31.5 tp -35.27 -58.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -49.21 70.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -55.45 -42.88 74.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 832' ' ' ILE . 12.1 mmp_? -61.49 -52.08 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.26 -59.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -53.31 -49.73 66.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 15.2 m -50.22 -57.35 7.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.415 HD22 ' CG2' ' A' ' 837' ' ' VAL . 37.9 mt -52.41 -47.0 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 891' ' ' TYR . 95.9 mt -53.67 -39.05 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -83.78 -14.76 50.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -84.85 27.36 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 55.32 50.62 14.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.806 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . 0.556 ' HA ' ' HB2' ' A' ' 895' ' ' ALA . 40.8 m-85 -128.98 -37.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.423 ' O ' HG23 ' A' ' 876' ' ' ILE . 95.5 mmm -138.18 156.31 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.455 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 8.9 pt-20 -129.45 142.5 50.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -75.93 113.54 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -47.37 118.57 2.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.45 -35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -62.36 -46.71 87.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -159.21 143.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.639 0.733 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.82 10.8 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -78.55 -38.27 40.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -90.18 134.02 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.427 ' CE1' HD11 ' A' ' 876' ' ' ILE . 27.6 m-85 -117.08 143.16 46.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 32.9 m-80 -113.86 150.71 33.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 841' ' ' LYS . 53.6 t80 -76.33 124.21 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . 0.411 HG12 ' C ' ' A' ' 880' ' ' TYR . 22.3 pt -121.08 -39.82 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 880' ' ' TYR . . . -39.86 152.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 1.9 m -116.79 89.08 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -108.44 -102.37 2.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 85.69 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.756 2.304 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 69.2 p -57.26 115.54 2.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 4.5 m -83.1 -45.58 13.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 8.8 t -171.3 144.91 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 89.8 p -165.8 155.5 12.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 167.32 -178.82 41.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 29.1 m -147.58 172.57 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 32.3 t -147.56 152.91 38.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -128.7 142.59 13.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 49.2 mt -128.31 95.75 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.104 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -114.85 120.96 41.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 39.9 mmm -138.66 108.48 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . 0.474 ' H ' ' CD ' ' A' ' 811' ' ' LYS . 0.0 OUTLIER -79.68 143.08 34.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -141.58 159.59 41.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 81.0 p -107.11 153.03 23.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 35.0 m -114.53 150.26 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -88.75 145.15 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -51.99 120.71 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -157.68 150.87 23.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -55.15 -50.47 69.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 2.9 m -116.85 98.13 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 62.7 p -60.18 -51.32 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . . . . . . . . . 28.2 p -127.48 168.51 14.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -92.77 -46.55 7.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -48.82 -47.94 41.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 825' ' ' PHE . 7.7 p -45.68 -42.68 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.437 ' N ' HG13 ' A' ' 824' ' ' VAL . 66.4 t80 -47.0 -59.97 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 828' ' ' ARG . 13.4 mm-40 -65.65 -49.51 68.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 826' ' ' GLN . 0.7 OUTLIER -34.44 -33.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.552 ' O ' HD12 ' A' ' 832' ' ' ILE . 49.6 mtm-85 -66.12 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 9.4 pt20 -39.68 -34.17 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.472 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 37.6 m-85 -70.27 -44.58 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 828' ' ' ARG . 64.6 mm-40 -59.34 -33.78 71.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 828' ' ' ARG . 3.8 mp -70.56 -58.21 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 834' ' ' ALA . 0.1 OUTLIER -58.19 -44.81 88.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . 0.461 ' N ' ' OD1' ' A' ' 833' ' ' ASP . . . -58.0 -49.96 75.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -57.2 -44.73 83.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 851' ' ' LEU . 63.2 mt -58.7 -60.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.38 -39.18 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -62.95 -45.33 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 19.3 mt -65.77 -48.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.41 ' SD ' ' HE2' ' A' ' 881' ' ' MET . 3.4 mmt -58.86 -48.33 81.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -51.89 -57.4 9.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.54 -36.27 78.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 844' ' ' LYS . 24.6 mmt180 -108.59 90.69 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 843' ' ' ARG . 7.4 mptt -34.68 -58.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 16.6 m -118.49 125.18 49.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 5.5 tp -145.58 151.21 37.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 90.3 p -93.79 165.18 12.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . 0.513 ' CD2' HG13 ' A' ' 852' ' ' VAL . 4.0 t60 -54.08 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -44.69 -53.78 6.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.97 -36.66 82.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 836' ' ' ILE . 37.7 tp -64.78 -71.93 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.513 HG13 ' CD2' ' A' ' 848' ' ' HIS . 33.0 m -40.66 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.488 ' N ' HG23 ' A' ' 852' ' ' VAL . 1.3 t -54.82 -57.24 12.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -52.91 -45.78 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.6 t -51.31 -53.9 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -54.41 -43.79 71.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -60.8 -30.16 69.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -81.91 -38.88 24.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 16.6 mt -91.2 132.75 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -74.26 -26.51 60.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -106.06 149.12 37.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 153.65 68.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 864' ' ' LYS . 70.6 t -113.59 155.4 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 863' ' ' VAL . 0.4 OUTLIER -75.8 154.58 85.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.693 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -49.02 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.754 2.303 . . . . 0.0 112.33 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.36 -62.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -51.89 -43.37 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 852' ' ' VAL . 14.3 tp -52.37 -47.19 66.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.71 -63.14 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -48.81 -43.08 37.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -55.08 -59.45 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.49 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -44.84 -62.42 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 64.9 m -41.61 -57.5 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.8 mt -50.15 -44.33 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.436 ' CD1' ' CE1' ' A' ' 891' ' ' TYR . 86.6 mt -57.72 -35.9 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -84.52 -13.08 52.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 880' ' ' TYR . 11.8 mtp180 -84.55 34.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 51.22 46.98 25.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 878' ' ' ARG . 39.5 m-85 -124.73 -36.22 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.41 ' HE2' ' SD ' ' A' ' 840' ' ' MET . 89.4 mmm -142.04 165.01 28.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 5.8 pt-20 -134.44 138.61 44.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 -75.95 111.48 11.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 885' ' ' LYS . 33.8 t0 -43.17 117.34 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 884' ' ' ASP . 56.4 mttt -35.86 -42.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.48 -60.24 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -146.5 144.42 20.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.586 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.2 Cg_endo -69.69 -9.96 27.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -67.83 -37.88 82.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -95.43 113.94 25.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.586 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 24.1 m-85 -101.05 150.51 22.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 20.5 m-80 -121.48 153.15 38.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 895' ' ' ALA . 64.5 t80 -79.51 136.65 36.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.5 pt -128.92 -39.48 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 893' ' ' TYR . . . -41.97 151.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.072 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 73.0 m -123.77 135.48 53.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -155.33 -174.65 25.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 152.92 69.85 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 4.4 m -67.84 106.74 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 44.2 p -108.53 89.56 3.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 69.8 m -155.48 149.49 25.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 5.4 t -149.65 173.54 13.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . 163.1 123.19 0.64 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 37.1 m -152.11 172.59 16.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 79.5 p -144.84 148.78 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . -145.76 101.12 0.23 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.536 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.01 113.58 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 0.0 111.171 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -94.46 136.56 34.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -74.19 177.09 6.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -165.43 133.86 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.32 148.57 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 85.0 m -115.85 148.16 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.23 150.51 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -121.97 173.42 7.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -163.37 142.88 8.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -89.66 116.39 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -43.23 122.58 2.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 38.0 m -135.33 127.5 29.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 91.3 m -75.13 124.26 26.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 822' ' ' GLU . 35.7 m -155.28 135.86 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 821' ' ' THR . 4.3 tp10 -34.66 -52.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -45.02 -49.5 11.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 90.9 t -52.36 -46.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -38.62 -50.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.46 ' O ' ' CD2' ' A' ' 830' ' ' TYR . 39.7 mt-30 -65.55 -40.64 93.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.947 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.9 -43.76 77.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -63.39 -71.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 6.7 pt20 -39.19 -45.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 826' ' ' GLN . 11.1 m-85 -61.37 -44.11 97.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -54.54 -44.82 73.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.794 HG21 ' HG3' ' A' ' 871' ' ' ARG . 3.0 mp -62.07 -62.83 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.92 -58.96 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -40.32 -56.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.44 72.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.766 HG23 HD11 ' A' ' 851' ' ' LEU . 97.6 mt -65.06 -69.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 97.4 t -42.32 -38.73 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -62.13 -52.59 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.407 HG22 HD22 ' A' ' 846' ' ' LEU . 17.8 mt -58.18 -55.84 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.591 ' HB3' ' HE2' ' A' ' 881' ' ' MET . 5.6 mtt -56.15 -64.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 840' ' ' MET . 17.5 ttpp -34.58 -52.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 9.2 mtt -62.63 -43.76 97.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 840' ' ' MET . 9.8 mmm180 -96.69 97.85 9.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 843' ' ' ARG . 48.8 mmtt -35.05 -43.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 85.4 m -138.49 130.67 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . 0.413 HD13 ' HE ' ' A' ' 843' ' ' ARG . 6.9 tp -146.54 154.33 41.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 96.1 p -94.48 169.98 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . 0.485 ' NE2' HG11 ' A' ' 852' ' ' VAL . 40.6 t60 -61.91 -50.77 70.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -49.37 -56.67 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.21 -32.56 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.766 HD11 HG23 ' A' ' 836' ' ' ILE . 26.5 tp -64.4 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 853' ' ' SER . 32.8 m -51.47 -44.16 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.505 ' N ' HG23 ' A' ' 852' ' ' VAL . 4.9 t -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -47.41 -52.64 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . 0.419 HG21 HG12 ' A' ' 836' ' ' ILE . 69.7 t -49.71 -55.99 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -48.44 -46.2 37.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -61.48 -32.26 72.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -76.44 -39.88 52.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.86 131.51 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -110.68 147.45 36.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 147.43 62.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 93.8 t -118.12 130.6 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -58.89 156.52 24.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -38.22 7.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.35 -59.48 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -61.37 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 21.8 tp -41.53 -55.34 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -51.63 -47.06 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -57.77 -44.61 86.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.794 ' HG3' HG21 ' A' ' 832' ' ' ILE . 27.0 mmm180 -58.91 -53.28 60.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.92 -62.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -40.28 -56.26 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 27.0 t -49.49 -51.74 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . . . . . . . . . 32.0 mt -53.45 -46.33 69.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 881' ' ' MET . 64.7 mt -55.85 -38.48 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -83.76 -14.07 52.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -83.94 16.08 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 22.4 t0 64.46 51.17 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -127.43 -30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.591 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 88.0 mmm -147.36 147.93 30.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.463 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 9.7 pt-20 -119.6 137.06 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 72.2 mtm180 -75.85 122.27 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -54.39 117.14 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 886' ' ' GLU . 2.1 pttp -42.75 -26.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 885' ' ' LYS . 5.6 mt-10 -69.49 -52.85 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -156.13 144.19 14.3 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -1.31 8.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.615 2.21 . . . . 0.0 112.375 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -78.99 -27.44 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -103.27 132.26 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.6 141.11 49.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 12.3 m-80 -110.76 153.88 24.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.629 ' CE1' ' HB3' ' A' ' 895' ' ' ALA . 31.3 t80 -84.68 127.15 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 6.0 pt -120.94 -34.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . 0.629 ' HB3' ' CE1' ' A' ' 893' ' ' TYR . . . -40.35 135.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 26.6 t -112.17 130.89 55.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -157.39 173.89 34.86 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 85.78 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 5.3 t -105.59 128.56 53.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 17.6 m -39.09 -56.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.447 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 3.9 m -124.58 -60.05 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.836 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 3.4 m -112.88 114.38 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -165.1 95.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 12.5 m -111.84 134.23 53.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 58.5 m -140.56 167.38 22.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.47 101.68 1.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 42.5 mm -75.22 111.95 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.316 . . . . 0.0 111.109 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -154.02 108.24 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 3.7 mmt -122.64 162.15 22.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -117.7 106.51 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -131.03 93.02 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 40.5 m -146.9 140.65 25.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 27.9 m -85.43 40.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -89.82 116.17 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -64.55 160.45 19.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -114.4 -58.79 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -146.17 175.42 10.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 37.4 p -49.53 -179.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 67.9 p -49.65 123.9 8.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.4 ' HB ' HG12 ' A' ' 824' ' ' VAL . 19.1 p -121.87 131.22 53.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -128.07 -50.51 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -45.9 -42.21 12.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 825' ' ' PHE . 7.8 p -63.59 -42.29 95.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.449 ' N ' HG13 ' A' ' 824' ' ' VAL . 31.9 t80 -44.18 -57.51 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 828' ' ' ARG . 2.3 mp0 -53.05 -50.53 64.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 826' ' ' GLN . 35.7 t70 -34.57 -35.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 831' ' ' GLN . 37.3 mtt85 -68.51 -70.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 830' ' ' TYR . 5.3 pt20 -38.04 -30.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 829' ' ' GLN . 39.3 m-85 -78.18 -42.47 31.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.976 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 828' ' ' ARG . 21.4 mm100 -55.65 -43.73 76.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.51 ' H ' HD12 ' A' ' 832' ' ' ILE . 4.0 mp -73.13 -55.58 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.689 ' CG ' HD21 ' A' ' 875' ' ' LEU . 8.5 t0 -51.69 -41.79 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -67.04 -51.37 55.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.27 68.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.767 HG23 HD11 ' A' ' 851' ' ' LEU . 53.5 mt -63.28 -69.14 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 833' ' ' ASP . 59.7 t -37.64 -45.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -60.01 -48.12 83.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 854' ' ' GLU . 21.7 mt -62.72 -49.61 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.496 ' SD ' HD13 ' A' ' 851' ' ' LEU . 2.9 mmt -47.78 -53.0 16.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.85 -51.65 28.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 52.2 mtt -62.19 -47.68 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 844' ' ' LYS . 13.1 mmm180 -101.34 85.67 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 843' ' ' ARG . 2.3 mptm? -34.3 -64.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . 0.409 HG22 ' CD ' ' A' ' 890' ' ' GLN . 36.4 m -115.05 119.42 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.0 tp -137.57 154.08 49.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 6.5 m -92.19 157.65 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -47.67 -60.51 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -44.6 -53.09 7.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 850' ' ' LEU . 3.6 mm? -63.09 -34.07 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 836' ' ' ILE . 63.5 tp -64.38 -69.03 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.461 HG12 HD21 ' A' ' 868' ' ' LEU . 27.2 m -46.57 -39.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 25.0 t -57.76 -50.42 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . 0.51 ' HB3' HD13 ' A' ' 839' ' ' ILE . 8.9 mm-40 -57.27 -57.93 10.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 53.4 t -42.51 -55.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -53.81 -41.97 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -56.77 -37.08 70.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -79.15 -36.7 40.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.0 mt -92.66 117.91 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -84.86 25.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' A' ' 863' ' ' VAL . 11.7 p90 -136.57 151.72 73.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 134.01 27.05 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.717 2.278 . . . . 0.0 112.391 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 861' ' ' PHE . 94.6 t -126.29 112.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -43.87 154.56 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -34.68 14.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.64 92.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.37 -50.7 62.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.461 HD21 HG12 ' A' ' 852' ' ' VAL . 28.1 tp -55.92 -53.91 51.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -53.17 -53.61 48.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -55.7 -47.95 75.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 871' ' ' ARG . 14.8 mmp_? -53.85 -49.06 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.13 -57.5 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.42 -58.85 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 877' ' ' ASP . 7.1 m -43.53 -66.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.689 HD21 ' CG ' ' A' ' 833' ' ' ASP . 85.5 mt -38.97 -51.34 1.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 881' ' ' MET . 81.6 mt -51.92 -41.37 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 874' ' ' SER . 15.0 t0 -75.64 -15.56 60.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 33.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 49.3 35.09 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -110.68 -38.82 5.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 876' ' ' ILE . 87.8 mmm -138.82 157.61 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -132.71 144.12 50.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -77.02 112.6 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -44.62 132.08 6.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -53.67 -38.17 63.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -57.51 -53.62 56.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . 0.429 ' CG ' ' HD2' ' A' ' 888' ' ' PRO . 12.0 t-20 -148.79 139.84 13.84 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.673 0.749 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 887' ' ' ASN . 53.0 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -81.72 -19.79 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 891' ' ' TYR . 1.7 tp-100 -97.27 144.27 27.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.429 ' N ' ' HG3' ' A' ' 890' ' ' GLN . 29.4 m-85 -123.37 136.7 54.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -112.72 153.52 27.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -84.26 115.51 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 10.1 pt -108.32 -12.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . -82.61 166.99 18.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 90.1 p -139.03 163.69 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . . . . . . . . . . . -125.03 83.87 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 85.63 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 98.9 p -105.42 127.94 53.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 75.0 m 60.52 43.31 13.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' SER . . . . . . . . . . . . . 88.1 p -115.2 111.14 20.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.7 t -127.81 147.06 50.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' GLY . . . . . . . . . . . . . . . -179.81 72.28 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' SER . . . . . . . . . . . . . 57.7 p -53.3 152.13 4.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.928 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 87.5 p -130.16 -44.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 110.44 -125.39 7.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' ILE . . . . . . . . . . . . . 50.5 mm -117.83 127.0 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -107.25 -46.9 3.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' MET . . . . . . . . . . . . . 6.0 mmt -72.22 125.02 26.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -109.37 169.53 8.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -110.61 76.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 6.1 p -108.49 -5.17 16.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' VAL . . . . . . . . . . . . . 33.1 m -93.33 171.72 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -122.44 -44.43 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -90.05 -59.46 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -147.27 164.96 31.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' ALA . . . . . . . . . . . . . . . -73.58 -63.78 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' SER . . . . . . . . . . . . . 3.4 m -154.61 161.74 41.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' THR . . . . . . . . . . . . . 81.7 p -110.82 110.47 21.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 822' ' ' GLU . 24.6 m -162.13 139.91 8.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 821' ' ' THR . 7.2 mm-40 -38.04 -54.47 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -41.01 -50.86 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' VAL . . . . . . . . . . . . . 92.0 t -46.2 -45.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -45.84 -52.48 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' GLN . . . . . 0.426 ' O ' ' CD2' ' A' ' 830' ' ' TYR . 10.2 mp0 -58.77 -50.82 72.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -48.12 -49.18 32.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' ARG . . . . . 0.537 ' NH1' ' CD2' ' A' ' 861' ' ' PHE . 19.3 mmt180 -57.4 -73.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -38.84 -31.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 826' ' ' GLN . 13.4 m-85 -77.23 -42.2 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 828' ' ' ARG . 11.2 mm100 -56.95 -39.67 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 832' ' ' ILE . 3.9 mp -75.85 -58.96 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.554 ' OD1' HD21 ' A' ' 875' ' ' LEU . 52.8 t0 -53.59 -31.98 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -72.25 -55.02 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ALA . . . . . . . . . . . . . . . -54.53 -44.98 73.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' A' ' 840' ' ' MET . 86.8 mt -60.85 -61.99 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.23 -38.88 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -66.47 -37.32 84.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' ILE . . . . . . . . . . . . . 29.9 mt -75.43 -60.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.559 ' HE1' ' HG3' ' A' ' 881' ' ' MET . 7.8 mtt -48.26 -54.55 13.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -40.01 -60.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' MET . . . . . . . . . . . . . 5.3 mtt -58.05 -41.64 83.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 844' ' ' LYS . 12.2 mmt-85 -98.78 95.98 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 893' ' ' TYR . 7.8 mptt -34.57 -55.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' THR . . . . . . . . . . . . . 87.1 m -123.67 132.09 53.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' LEU . . . . . . . . . . . . . 8.6 tp -144.84 148.43 33.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' SER . . . . . . . . . . . . . 3.9 m -95.56 160.34 14.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -49.0 -48.38 43.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 852' ' ' VAL . 32.3 t30 -55.16 -68.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.49 -31.65 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' LEU . . . . . . . . . . . . . 49.1 tp -72.11 -65.84 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' VAL . . . . . 0.64 HG22 ' CE2' ' A' ' 856' ' ' TYR . 0.4 OUTLIER -37.91 -37.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.415 ' N ' ' CG1' ' A' ' 852' ' ' VAL . 47.7 t -70.65 -60.71 2.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -47.96 -46.99 32.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' VAL . . . . . . . . . . . . . 23.5 t -57.76 -64.16 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' TYR . . . . . 0.64 ' CE2' HG22 ' A' ' 852' ' ' VAL . 9.3 m-85 -42.84 -37.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -66.89 -40.5 87.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -73.15 -29.4 62.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 861' ' ' PHE . 14.1 mt -101.78 120.96 41.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -84.48 23.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 861' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 859' ' ' LEU . 16.1 p90 -141.32 148.47 51.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.67 0.748 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 862' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.32 42.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.316 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 863' ' ' VAL . . . . . . . . . . . . . 65.5 t -128.03 130.01 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 864' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -60.85 154.18 60.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 865' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -34.31 14.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.385 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.16 85.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 867' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -63.79 -53.85 44.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 14.9 tp -52.2 -61.51 2.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -48.34 -50.62 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 870' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -54.55 -44.8 73.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 871' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -61.04 -46.5 90.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 872' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.33 -63.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 873' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -47.24 -55.54 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 874' ' ' SER . . . . . . . . . . . . . 37.6 m -49.38 -54.37 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 875' ' ' LEU . . . . . 0.554 HD21 ' OD1' ' A' ' 833' ' ' ASP . 47.1 mt -51.08 -50.16 59.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 876' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 881' ' ' MET . 84.1 mt -50.88 -43.17 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 877' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.84 -15.24 59.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 878' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -81.98 16.04 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 879' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 64.68 51.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 880' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.15 -36.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' MET . . . . . 0.796 ' O ' HG23 ' A' ' 876' ' ' ILE . 80.4 mmm -142.22 145.83 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' GLU . . . . . 0.435 ' CG ' ' HB2' ' A' ' 892' ' ' ASN . 6.7 pt-20 -114.53 142.2 46.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -77.63 116.4 18.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 884' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -50.74 119.9 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 885' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -41.78 -32.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 886' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.72 -46.94 70.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 887' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -162.29 144.01 8.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.672 0.748 . . . . 0.0 110.821 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 888' ' ' PRO . . . . . 0.563 ' O ' ' CE1' ' A' ' 891' ' ' TYR . 54.3 Cg_endo -69.75 -12.54 33.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 889' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -66.7 -30.79 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 890' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -100.73 117.72 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 891' ' ' TYR . . . . . 0.563 ' CE1' ' O ' ' A' ' 888' ' ' PRO . 11.0 m-85 -105.23 140.39 38.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 892' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 882' ' ' GLU . 67.9 m-20 -108.79 149.52 28.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 893' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 844' ' ' LYS . 38.9 t80 -78.14 125.29 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 894' ' ' ILE . . . . . . . . . . . . . 11.3 pt -122.88 -29.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 895' ' ' ALA . . . . . . . . . . . . . . . -58.5 -179.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 896' ' ' SER . . . . . . . . . . . . . 84.6 p -118.09 133.05 56.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 897' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 898' ' ' PRO . . . -44.96 -63.05 2.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 898' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 897' ' ' GLY . 53.3 Cg_endo -69.8 -164.97 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 899' ' ' SER . . . . . . . . . . . . . 4.0 m 51.93 48.18 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 900' ' ' SER . . . . . . . . . . . . . 9.2 t -112.37 124.8 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.985 . . . . . . . . 0 0 . 1 stop_ save_