data_2dof_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 2dof _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 ' 896' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 897' ' ' GLU . 58.9 ttp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.75 0.31 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 48.3 mm-40 -36.23 -52.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -48.83 -46.3 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.72 94.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.9 mt -55.26 -64.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.78 -46.25 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.41 -40.85 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -59.94 -52.8 63.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -54.11 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.4 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.14 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.76 -43.04 80.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.494 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 46.5 t -68.39 -45.38 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.96 -58.66 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 74.4 mmm -67.99 -56.42 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 7.6 t -100.48 73.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -75.52 -21.27 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 4.8 m -86.17 170.08 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.1 p -126.85 5.42 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.33 34.55 2.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.54 167.14 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.0 t -109.73 154.79 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.477 ' CD2' ' HG3' ' A' ' 943' ' ' GLU . 37.3 t-105 -50.51 -61.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 919' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 918' ' ' TRP . 5.4 m -34.99 -69.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.56 -51.45 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 922' ' ' ARG . 21.0 m -53.21 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 921' ' ' THR . 20.8 ttt180 -38.32 -55.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.74 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 78.8 m -62.95 -47.92 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.8 -36.84 84.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -53.65 -25.51 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -84.69 -33.06 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.81 163.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -82.47 -57.43 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -46.75 -41.75 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -39.41 -42.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -56.17 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 15.2 m -67.79 -26.21 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.63 48.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 935' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 936' ' ' LEU . 45.1 t -41.78 -43.77 3.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 935' ' ' SER . 35.8 mt -34.66 -55.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.61 118.78 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.8 pt-20 -62.84 153.24 33.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.4 OUTLIER -37.98 -50.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.52 -52.58 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.457 ' OE1' ' CD1' ' A' ' 945' ' ' LEU . 5.4 tm-20 -53.04 -52.27 59.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -56.52 -54.79 41.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . 0.477 ' HG3' ' CD2' ' A' ' 918' ' ' TRP . 26.4 tt0 -50.05 -47.29 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -57.49 -49.97 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . 0.457 ' CD1' ' OE1' ' A' ' 941' ' ' GLU . 43.4 mt -52.09 -60.17 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -46.68 -61.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -44.86 -50.83 10.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.55 -41.06 80.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 55.3 t60 -61.12 -39.82 91.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.22 -62.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -47.1 -40.56 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.81 87.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.48 -58.65 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 63.3 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 897' ' ' GLU . 73.7 ttt180 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 896' ' ' ARG . 5.4 mm-40 -36.98 -49.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.67 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -50.09 -51.51 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.14 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -48.72 -55.7 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -52.43 -39.22 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -57.37 -66.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -46.56 -55.04 8.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.47 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.58 -33.23 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 34.0 mt -71.43 -32.78 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.9 t -81.87 -26.8 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -77.81 -36.17 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.0 mmm -98.37 -67.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.17 58.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.46 -27.54 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.0 m -80.98 172.69 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 6.4 p -125.82 0.09 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.51 26.83 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 18.2 m -109.48 168.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.3 t -115.29 152.41 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.52 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 19.4 t-105 -44.97 -68.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 55.7 p -38.27 -66.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -42.6 -49.93 5.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 35.0 m -55.57 -60.7 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 39.9 ttt180 -41.17 -49.61 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -64.91 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 89.0 m -64.46 -54.86 25.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 928' ' ' ASP . 18.4 mt -59.76 -50.53 73.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 925' ' ' LEU . 49.8 mtp180 -35.12 -56.14 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -47.65 -42.31 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -51.28 165.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . 0.406 ' CE1' ' OE2' ' A' ' 932' ' ' GLU . 1.8 t60 -92.0 -50.0 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 4.9 mmt180 -45.29 -46.53 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.0 t-105 -37.38 -39.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 929' ' ' HIS . 27.0 mt-10 -42.61 -50.42 5.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.5 m -68.64 -32.85 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.84 -13.25 6.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 935' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 936' ' ' LEU . 19.3 t -46.64 -44.15 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.873 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 935' ' ' SER . 33.3 mt -35.44 -59.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.68 174.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.84 157.16 27.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -39.93 -45.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.4 -52.08 65.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -59.97 -51.35 70.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.3 -53.57 41.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -57.15 13.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 36.6 mt -47.39 -51.89 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 918' ' ' TRP . 19.0 t80 -56.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -42.74 -47.97 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.8 -48.34 72.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -57.93 -47.7 82.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 45.2 mm -52.88 -60.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 7.6 pt-20 -57.34 -38.72 74.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -58.51 -39.13 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.42 -55.67 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -40.96 -52.3 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.87 -43.35 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 84.1 mt -55.82 -60.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.68 -51.9 67.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -53.35 -43.69 67.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.19 -54.92 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -49.04 -55.47 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.4 -43.9 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.01 -41.19 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 43.2 t -78.58 -25.18 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.08 -38.78 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 41.5 mmm -98.61 -54.4 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.99 64.33 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -69.08 -6.33 27.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 26.3 m -102.12 175.31 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.9 p -121.2 -20.21 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -87.93 46.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.75 -176.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.5 t -120.73 156.69 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.556 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 13.1 t-105 -62.9 -44.68 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.2 m -63.72 -53.41 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.06 -47.51 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 922' ' ' ARG . 61.7 m -64.48 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.556 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 56.6 ttt180 -34.87 -60.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 -58.28 -42.85 87.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 98.0 m -54.64 -26.58 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 17.9 mt -94.26 -33.63 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -48.69 -41.33 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -72.54 -29.69 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.64 170.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -93.83 -47.79 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 -33.32 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -39.94 -37.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -55.81 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.3 p -55.02 -39.29 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.0 6.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.5 t -51.37 -51.55 53.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 29.2 mt -42.95 -38.31 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . 0.405 ' O ' ' NZ ' ' A' ' 942' ' ' LYS . 15.7 mt -76.37 115.12 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 941' ' ' GLU . 15.5 pt-20 -64.59 154.53 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -54.35 -43.72 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 938' ' ' GLU . 12.1 mm-40 -69.65 -36.1 75.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 937' ' ' LEU . 37.0 mttp -66.43 -49.0 68.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.11 -57.36 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -61.05 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 32.1 mt -43.57 -48.87 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -53.34 -55.47 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -52.36 -47.44 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -50.75 -48.0 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 950' ' ' ILE . 53.5 t60 -58.65 -63.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 949' ' ' HIS . 25.2 mm -37.33 -47.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.44 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.78 -55.38 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -39.58 -59.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 899' ' ' ALA . 11.8 pt-20 -41.3 -51.68 3.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 898' ' ' GLU . . . -54.13 -50.7 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 95.3 mt -52.89 -65.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -50.42 -53.53 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -55.27 -37.56 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -58.35 -49.17 78.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -60.05 -47.77 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.2 84.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.63 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 911' ' ' VAL . 81.8 mt -65.78 -47.9 73.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 30.0 t -61.42 -47.36 86.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.02 -65.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 71.9 mmm -64.37 -55.67 19.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 907' ' ' LEU . 15.5 t -102.24 69.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.1 ttp-105 -75.45 -26.04 57.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -83.02 163.22 21.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 5.3 p -120.61 19.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.08 33.08 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.1 173.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.1 t -111.18 158.83 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.432 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.9 t-105 -53.73 -56.0 21.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 5.2 t -48.57 -67.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 58.2 m-20 -38.8 -51.19 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 97.9 m -58.87 -45.48 90.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.432 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 7.0 ttt-85 -53.59 -46.06 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 26.9 ptt180 -73.15 -24.68 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.8 m -75.12 -41.9 57.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.06 -37.6 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -49.35 -47.42 47.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -65.37 -30.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -58.0 159.27 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.81 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -79.56 -58.83 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.9 mtt180 -42.27 -42.39 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.531 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 6.6 t-105 -34.5 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 8.9 t -59.74 -43.95 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.0 -14.7 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 85.5 p -53.02 -39.32 63.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.34 -42.24 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.24 175.1 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.7 pt-20 -121.15 148.12 44.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 938' ' ' GLU . 10.1 ptt180 -35.01 -44.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.41 -61.0 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.91 -46.52 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.531 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 20.5 mtpp -56.11 -61.48 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.89 -47.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 944' ' ' LYS . 3.7 tmmm? -59.06 -50.02 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 30.2 mt -52.04 -60.09 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.453 ' CZ ' HG13 ' A' ' 950' ' ' ILE . 21.7 t80 -49.87 -59.45 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -46.65 -44.4 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.34 -52.03 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -53.36 -54.54 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . 0.453 HG13 ' CZ ' ' A' ' 946' ' ' PHE . 26.1 mm -54.75 -55.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.41 -39.27 60.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.49 -53.59 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 31.9 mt -47.17 -63.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -39.97 -43.92 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.3 -45.55 90.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.08 95.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.65 -62.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -54.96 -45.33 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -58.93 -43.14 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -56.24 -50.84 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -54.42 -56.56 17.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.33 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.54 -36.62 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 911' ' ' VAL . 56.7 mt -61.84 -48.5 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 24.6 t -62.71 -49.93 73.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.05 -46.98 84.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 70.7 mmm -78.95 -21.77 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 907' ' ' LEU . 13.2 t -127.65 92.76 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -93.75 -2.57 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.8 m -102.62 179.08 4.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 99.7 p -128.27 -30.48 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.73 44.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.55 -175.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 23.4 m -118.31 142.18 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.53 -39.31 76.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 17.0 m -65.65 -43.45 89.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.85 -54.87 39.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 44.0 m -66.47 -50.6 62.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -42.12 -45.11 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -75.97 -45.14 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 58.0 m -49.92 -48.27 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 928' ' ' ASP . 24.1 mt -66.86 -48.54 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . 0.463 ' HG2' ' CZ2' ' A' ' 931' ' ' TRP . 9.0 mtp-105 -43.96 -28.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.24 -33.58 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 925' ' ' LEU . 30.5 t0 -56.71 174.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -91.39 -46.84 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.62 -35.51 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.463 ' CZ2' ' HG2' ' A' ' 926' ' ' ARG . 9.8 t-105 -43.44 -34.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.83 -55.34 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.5 t -60.21 -29.65 68.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.75 -12.64 28.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.3 m -51.28 -43.01 61.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 16.6 mt -40.53 -44.13 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.24 161.48 29.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 939' ' ' ARG . 14.6 pt-20 -111.42 155.92 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 48.0 mtm-85 -37.18 -43.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.89 -55.44 34.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.74 -44.55 90.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -56.38 -52.62 63.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.36 -56.18 25.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -44.38 -52.81 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 946' ' ' PHE . 40.1 mt -58.52 -66.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 945' ' ' LEU . 42.7 t80 -36.05 -35.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -68.87 -58.25 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 4.9 pt-20 -52.46 -46.77 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.479 ' N ' ' CG ' ' A' ' 948' ' ' GLU . 19.6 t60 -55.55 -64.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 19.9 mm -42.41 -63.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -52.48 -30.87 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.39 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.88 -43.91 94.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -40.43 -48.71 2.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.33 -47.68 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -57.49 -43.36 84.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.05 -66.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.75 -50.87 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -56.35 -37.72 70.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 942' ' ' LYS . 25.4 t80 -60.38 -46.99 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -58.4 -50.37 73.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.27 93.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.84 -41.93 98.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.46 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 22.7 t -62.6 -45.45 92.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 -60.24 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 3.9 mmt -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.97 93.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -94.13 -7.58 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 23.6 m -97.59 -175.41 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 11.7 p -131.67 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -84.58 43.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.71 170.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 9.4 m -108.27 140.98 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -49.46 -48.96 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 15.4 t -47.97 -63.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -45.22 -51.66 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 922' ' ' ARG . 19.6 m -57.55 -65.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 921' ' ' THR . 11.4 ttt85 -36.75 -48.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -52.84 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.7 m -43.89 -36.52 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 928' ' ' ASP . 16.7 mt -83.43 -45.0 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 925' ' ' LEU . 17.2 mtp85 -36.31 -52.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -64.68 -39.25 93.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 925' ' ' LEU . 22.9 t0 -51.89 140.5 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -64.69 -54.33 33.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 931' ' ' TRP . 63.1 mtt180 -42.62 -50.83 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.535 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -37.8 -44.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -41.15 -58.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 18.9 m -54.84 -36.92 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.43 -13.4 3.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 12.4 t -39.72 -44.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 16.9 mt -40.92 -43.99 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.57 174.18 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.65 165.28 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -49.31 -25.62 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.47 -47.28 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.11 -34.45 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.535 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 45.5 mttm -70.55 -44.01 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -68.78 -51.04 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -58.66 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 27.9 mt -50.94 -49.14 60.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -53.14 -60.61 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -48.44 -44.94 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.17 -47.25 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 22.4 t60 -56.3 -46.13 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 27.0 mm -59.65 -41.66 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.04 -47.95 80.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.39 85.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.17 -52.13 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.764 0.316 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.13 -45.02 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.31 -51.68 61.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 936' ' ' LEU . . . -54.44 -49.39 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.3 -63.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -54.22 -49.78 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -59.84 -26.79 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -69.35 -66.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -47.02 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.39 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.0 tp -62.72 -41.84 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.84 -42.04 92.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 33.0 t -67.77 -34.21 76.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.03 -62.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 36.6 mmm -66.94 -48.44 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . 0.421 HG23 ' CG2' ' A' ' 921' ' ' THR . 21.8 t -107.19 71.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 912' ' ' ARG . 6.4 tmm_? -82.69 -26.36 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 160.54 27.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 83.1 p -112.65 -8.81 13.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -104.39 46.85 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.5 m -123.76 147.46 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 20.3 p -92.62 159.52 15.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 17.6 t-105 -57.4 -54.87 41.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.1 t -41.2 -49.21 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.14 -61.34 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.425 ' OG1' ' CE1' ' A' ' 946' ' ' PHE . 89.1 m -42.16 -47.14 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -59.0 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -57.01 -15.25 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 66.4 m -87.04 -58.61 2.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.75 -35.33 80.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -45.96 -60.09 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -59.79 -30.76 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.16 158.32 11.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -77.96 -55.11 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.2 mpt_? -38.38 -56.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.47 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 41.1 t-105 -34.56 -46.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -41.2 -59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.4 m -58.47 -39.98 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 935' ' ' SER . . . -55.41 -14.29 6.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 935' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 934' ' ' GLY . 3.6 m -36.99 -38.84 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' A' ' 899' ' ' ALA . 23.5 mt -42.03 -49.59 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.93 170.06 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -119.84 152.12 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 939' ' ' ARG . 3.6 tmm_? -39.92 -41.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.66 -55.06 37.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.47 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 67.3 mttt -59.11 -49.82 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -51.03 -59.15 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -54.09 -61.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 34.4 mt -38.8 -47.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 918' ' ' TRP . 19.5 t80 -59.89 -50.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.09 -49.25 74.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.46 -44.76 85.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -54.66 -55.65 27.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 16.5 mm -53.84 -67.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.1 -35.27 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.0 -51.06 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 41.6 mt -38.81 -63.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.773 0.321 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -38.72 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.38 -43.46 23.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.6 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.07 -63.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.29 -48.28 71.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.24 -51.26 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -50.42 -61.31 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -44.87 -59.47 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -49.33 -40.65 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.24 -44.17 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 911' ' ' VAL . 66.6 mt -55.71 -37.06 67.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 16.6 m -75.73 -38.99 58.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.14 -39.75 90.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.2 mmm -95.81 -52.86 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 907' ' ' LEU . 34.0 t -101.07 60.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -64.7 -27.99 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 175.85 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 93.9 p -124.27 -31.93 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.32 44.65 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 34.0 m -107.95 168.76 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 10.4 t -102.21 151.49 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.548 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 3.6 t-105 -54.42 -52.51 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 10.5 t -55.08 -57.81 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -43.79 -50.05 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.543 HG23 ' CD1' ' A' ' 946' ' ' PHE . 88.0 m -57.96 -52.83 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.548 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 34.4 ttt-85 -44.29 -62.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -54.54 -51.63 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 56.0 m -43.03 -37.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 907' ' ' LEU . 26.1 mt -87.39 -41.25 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -46.95 -52.95 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -35.0 78.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.61 168.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 930' ' ' ARG . 2.7 m-70 -87.4 -57.08 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 931' ' ' TRP . 7.4 mpt_? -37.17 -41.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.565 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 21.8 t-105 -34.58 -46.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 931' ' ' TRP . 15.4 mt-10 -35.04 -62.28 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.1 m -61.76 -40.89 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.56 -14.73 3.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.3 m -47.49 -41.89 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 38.9 mt -41.94 -46.39 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.22 137.16 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 940' ' ' GLU . 9.9 pt-20 -87.25 150.22 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.0 OUTLIER -36.11 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 938' ' ' GLU . 1.9 tp10 -69.88 -49.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 938' ' ' GLU . 3.9 mm-40 -58.88 -35.26 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.565 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 40.2 mttp -67.85 -50.05 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.0 -47.22 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -67.63 -64.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.32 -49.92 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 921' ' ' THR . 31.2 t80 -56.57 -51.84 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.31 -51.75 56.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.58 -50.3 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -50.05 -51.69 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 14.6 mm -56.08 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -44.36 -44.75 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.66 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 72.1 mt -50.33 -61.65 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 35.5 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 896' ' ' ARG . 19.9 ttp-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.19 -56.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -48.58 43.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -56.49 -43.79 80.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 98.4 mt -57.65 -64.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -54.68 -47.55 73.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -56.4 -40.02 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . 0.447 ' CD2' HD11 ' A' ' 945' ' ' LEU . 31.0 t80 -59.86 -54.62 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.05 -50.48 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.08 74.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.52 -33.26 74.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.12 -42.89 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.413 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 27.0 t -74.57 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.51 -42.7 70.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 16.2 mmm -95.61 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.13 55.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.37 -20.84 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 2.9 m -84.52 167.75 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.2 p -123.92 11.27 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -111.55 37.44 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.33 175.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 16.6 m -112.99 152.88 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -53.81 -56.06 20.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 9.0 m -44.6 -63.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -49.18 -39.17 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 98.8 m -65.63 -44.87 85.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.08 -51.25 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -67.64 -24.82 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 8.6 m -69.74 -50.41 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.51 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 22.1 mt -75.38 -45.55 38.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . 0.467 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 45.9 mtp85 -36.8 -53.32 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -35.62 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 34.0 t70 -53.0 156.49 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.22 -60.27 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 931' ' ' TRP . 35.1 mtt85 -42.11 -52.68 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 925' ' ' LEU . 14.8 t-105 -36.49 -43.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 931' ' ' TRP . 16.1 tt0 -36.18 -61.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 12.0 m -53.95 -38.9 65.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -52.9 -14.45 2.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -46.57 -31.69 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 32.4 mt -48.16 -42.86 30.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . 0.454 ' CD2' ' OE1' ' A' ' 941' ' ' GLU . 14.7 mt -67.3 175.79 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.8 pt-20 -122.14 148.46 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 33.0 mtt180 -35.33 -43.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.08 -59.88 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.454 ' OE1' ' CD2' ' A' ' 937' ' ' LEU . 8.3 tm-20 -53.05 -42.56 65.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -59.52 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -47.1 -48.67 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -57.92 -51.35 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 903' ' ' PHE . 71.6 mt -51.36 -61.07 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -46.44 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -42.18 -51.59 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -55.68 -45.21 77.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 68.2 t60 -56.79 -48.62 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.61 -52.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -56.37 -39.66 73.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.56 92.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.95 -59.32 5.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 897' ' ' GLU . 46.4 ttp180 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 8.8 mm-40 -35.28 -65.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -41.56 -45.78 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -59.55 -43.7 93.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 76.9 mt -59.31 -60.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.89 -48.77 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -55.77 -41.44 74.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . 0.545 ' CD2' HD11 ' A' ' 945' ' ' LEU . 28.8 t80 -58.84 -49.85 76.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -55.86 -50.07 71.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -55.95 -48.84 75.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 10.8 tp -55.87 -43.63 77.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 911' ' ' VAL . 58.6 mt -56.53 -49.63 74.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.469 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 17.1 t -60.61 -55.95 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.82 -64.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 40.2 mmm -61.07 -58.25 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 907' ' ' LEU . 5.8 t -101.01 72.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -75.13 -23.11 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.9 m -77.85 167.97 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 91.3 p -128.58 17.38 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -115.06 33.44 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.73 171.59 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 68.8 m -108.56 156.68 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.478 ' CD1' ' HG3' ' A' ' 943' ' ' GLU . 23.2 t-105 -56.16 -68.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 919' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 918' ' ' TRP . 8.8 m -35.45 -62.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 9.7 t0 -49.25 -43.19 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 946' ' ' PHE . 52.9 m -63.33 -42.09 98.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.46 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 17.0 ttt-85 -58.45 -52.59 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 8.8 ptp180 -58.0 -39.99 79.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 924' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 923' ' ' ARG . 75.1 m -61.49 -68.12 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.417 ' O ' ' CB ' ' A' ' 928' ' ' ASP . 61.8 mt -47.25 -47.41 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 925' ' ' LEU . 38.7 mtp180 -37.01 -66.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -43.76 -42.06 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 925' ' ' LEU . 17.7 t0 -43.69 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -91.11 -51.15 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -48.4 -44.18 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -38.85 -34.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -45.92 -53.22 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.7 m -65.06 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.19 -14.39 11.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.1 m -45.48 -38.1 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 41.4 mt -41.29 -52.55 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . 0.432 ' O ' ' NZ ' ' A' ' 942' ' ' LYS . 14.8 mt -60.89 164.82 4.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.1 pt-20 -110.44 149.97 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 5.5 ttt180 -35.79 -43.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.35 -56.64 18.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -56.66 -44.27 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 937' ' ' LEU . 49.2 mttp -57.4 -59.14 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 918' ' ' TRP . 10.3 tt0 -51.78 -45.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -58.61 -47.53 84.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 903' ' ' PHE . 39.2 mt -54.43 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.461 ' CD1' HG23 ' A' ' 921' ' ' THR . 27.3 t80 -47.66 -62.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -41.52 -48.63 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -60.61 -42.49 96.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 48.5 t60 -58.83 -54.69 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . 0.433 HG13 ' CZ ' ' A' ' 946' ' ' PHE . 38.4 mm -51.46 -53.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.87 -43.84 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.36 69.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.75 -59.68 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 897' ' ' GLU . 30.9 ttm-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 896' ' ' ARG . 18.0 mm-40 -35.16 -58.91 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -49.33 -45.83 45.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.36 93.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 72.5 mt -57.66 -62.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -56.46 -47.3 79.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -58.28 -43.0 87.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . 0.5 ' CE2' HD12 ' A' ' 907' ' ' LEU . 15.9 t80 -55.18 -57.37 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -59.93 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.15 -39.73 60.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.92 -38.21 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.5 HD12 ' CE2' ' A' ' 903' ' ' PHE . 37.7 mt -68.26 -32.22 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.441 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 28.9 t -82.9 -26.92 31.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.71 -41.17 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 42.9 mmm -94.7 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 921' ' ' THR . 3.1 t -77.3 53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -62.26 -13.94 33.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 38.4 m -83.13 173.57 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.7 p -121.78 -35.39 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -80.61 47.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 30.4 m -112.97 168.67 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.5 m -107.42 147.31 30.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.401 ' CZ2' ' HG3' ' A' ' 922' ' ' ARG . 7.3 t-105 -53.28 -59.51 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 4.8 t -46.93 -51.58 16.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.77 -54.8 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.425 ' CG2' HG23 ' A' ' 911' ' ' VAL . 48.0 m -61.81 -43.61 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.401 ' HG3' ' CZ2' ' A' ' 918' ' ' TRP . 16.1 ttp180 -44.72 -58.9 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -62.62 -49.6 74.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 59.7 m -42.71 -51.42 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 928' ' ' ASP . 33.9 mt -67.31 -52.06 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 34.4 mtt180 -34.76 -55.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.99 -40.54 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 925' ' ' LEU . 29.3 t0 -50.13 172.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -89.26 -55.07 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 931' ' ' TRP . 8.1 mpt_? -44.43 -49.75 9.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.445 ' CD1' ' HA ' ' A' ' 926' ' ' ARG . 21.4 t-105 -35.89 -39.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.64 -55.37 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 10.3 m -67.46 -36.66 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.69 -13.52 6.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 935' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 936' ' ' LEU . 9.0 m -40.8 -43.95 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 935' ' ' SER . 30.9 mt -36.79 -50.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.67 127.23 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 941' ' ' GLU . 7.6 pt-20 -77.5 154.2 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 4.7 ttm105 -36.8 -43.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -49.18 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 938' ' ' GLU . 8.6 mm-40 -61.83 -43.73 98.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.418 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 35.8 mttm -61.95 -41.69 98.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.69 -55.07 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -59.8 -56.46 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . 0.495 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -46.52 -53.77 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.456 ' CE1' HD12 ' A' ' 950' ' ' ILE . 28.8 t80 -51.12 -58.63 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -48.02 -47.8 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.31 -44.19 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 73.9 t60 -60.98 -52.42 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . 0.456 HD12 ' CE1' ' A' ' 946' ' ' PHE . 42.9 mm -54.32 -65.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 11.4 pt-20 -46.96 -43.22 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -55.15 -45.14 75.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.33 -54.12 50.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 32.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.796 0.331 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.36 -51.54 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -50.15 -54.6 19.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -51.98 -46.83 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.22 -67.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.56 -53.02 33.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -53.93 -35.46 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.34 -53.66 51.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -53.01 -55.34 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.98 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.11 -45.85 91.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 48.5 mt -54.86 -41.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 29.5 t -67.63 -43.49 80.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.72 -63.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 8.9 mmm -60.87 -45.67 93.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.4 t -107.44 88.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -87.48 -9.9 53.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.3 m -99.1 -176.61 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 74.4 p -127.18 -30.99 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.67 45.18 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.48 -176.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.4 m -124.95 134.32 52.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.453 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.6 t-105 -42.93 -54.15 4.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 78.3 p -50.65 -59.53 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -43.56 -54.34 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 924' ' ' THR . 74.4 m -52.53 -63.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.453 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 10.3 ttt-85 -39.56 -48.76 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -62.22 -34.01 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 924' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 921' ' ' THR . 39.5 m -71.6 -47.08 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 928' ' ' ASP . 21.2 mt -67.57 -48.94 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 925' ' ' LEU . 24.4 mtp180 -34.53 -56.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.47 -39.58 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.4 t70 -44.61 160.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -86.05 -55.87 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -48.01 -32.73 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -44.27 -30.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.57 -55.62 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 p -59.18 -40.56 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.57 -14.17 3.41 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.3 m -49.14 -46.98 45.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.831 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 40.8 mt -38.49 -52.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.36 177.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 939' ' ' ARG . 21.9 pt-20 -133.21 155.72 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 938' ' ' GLU . 11.7 ptm180 -35.19 -41.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.6 -55.61 32.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.03 -45.56 91.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -55.44 -50.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.55 -60.41 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -50.79 -59.75 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 21.1 mt -43.7 -47.62 7.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.505 ' CE1' HD12 ' A' ' 950' ' ' ILE . 54.1 t80 -54.81 -56.64 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.03 -48.0 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.59 -55.11 32.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -46.35 -60.7 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . 0.505 HD12 ' CE1' ' A' ' 946' ' ' PHE . 16.7 mm -46.44 -54.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -53.66 -39.17 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.95 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 60.5 mt -53.15 -55.51 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 26.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 28.6 ttm-85 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.777 0.323 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -47.56 -61.54 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -48.71 -41.78 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 98.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 76.3 mt -55.74 -59.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -56.71 -56.33 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -52.02 -41.8 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -56.56 -56.16 24.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.15 -55.21 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.23 -41.03 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.6 -37.34 86.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.83 -36.6 83.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 10.2 t -81.87 -29.7 32.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.9 -39.65 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 35.9 mmm -96.44 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 11.8 t -84.53 73.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -84.77 -7.51 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 33.2 t -82.74 159.21 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 62.2 p -117.3 6.63 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -115.25 45.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.17 172.25 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 t -122.14 158.18 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 919' ' ' SER . 27.9 t-105 -41.4 -59.98 1.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 919' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 918' ' ' TRP . 6.7 m -35.64 -69.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.34 -47.79 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 922' ' ' ARG . 23.4 m -58.85 -66.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 921' ' ' THR . 63.9 ttt180 -35.22 -51.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 923' ' ' ARG . 14.1 mtp-105 -63.86 -61.65 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 94.9 m -39.5 -42.13 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 928' ' ' ASP . 19.3 mt -74.31 -44.92 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -43.11 -30.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -80.93 -32.94 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 8.5 t70 -60.09 165.9 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . 0.43 ' N ' ' CG ' ' A' ' 928' ' ' ASP . 2.6 t-80 -88.16 -49.66 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -31.23 37.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -41.94 -31.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.71 -49.92 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 93.3 p -65.56 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -59.04 -14.46 24.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.2 m -52.02 -42.95 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 27.5 mt -41.98 -40.99 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.4 mt -77.54 118.53 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -60.18 155.52 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -44.32 -36.79 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -66.34 -41.6 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -71.32 -35.46 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -65.62 -52.6 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.82 -54.48 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -56.77 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 34.4 mt -49.45 -53.3 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.441 ' CE1' ' OG1' ' A' ' 921' ' ' THR . 32.5 t80 -50.73 -55.7 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -46.99 -44.41 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.14 -54.54 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.416 ' NE2' HD13 ' A' ' 953' ' ' LEU . 61.8 t60 -44.25 -53.4 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.52 -54.85 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -17.15 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -88.25 -35.42 17.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . 0.416 HD13 ' NE2' ' A' ' 949' ' ' HIS . 19.4 mt -79.52 -9.47 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -38.83 -63.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -41.05 -48.25 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -61.08 -46.87 88.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 88.9 mt -53.39 -65.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -51.18 -52.68 41.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -50.62 -40.88 54.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -60.83 -58.32 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -49.22 -51.28 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.9 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.44 -41.56 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.93 -48.85 77.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 26.1 t -68.42 -50.19 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.58 -60.52 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.1 mmm -72.98 -57.32 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . 0.424 HG23 ' CG2' ' A' ' 921' ' ' THR . 5.5 t -97.05 82.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -93.3 -11.52 32.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.3 t -79.45 174.05 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 68.6 p -117.95 -22.72 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -91.77 45.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.87 143.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 49.3 m -93.26 152.71 19.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.08 -37.81 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.0 m -67.16 -49.38 64.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.84 -43.37 63.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.424 ' CG2' HG23 ' A' ' 911' ' ' VAL . 91.6 m -69.76 -56.61 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 921' ' ' THR . 46.9 ttt180 -37.28 -55.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.51 -50.0 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 88.5 m -48.99 -42.02 36.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 928' ' ' ASP . 78.5 mt -75.33 -44.81 43.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 925' ' ' LEU . 52.0 mtp85 -37.02 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -65.28 -41.76 93.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 925' ' ' LEU . 36.1 t70 -54.14 169.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -97.19 -50.35 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 931' ' ' TRP . 24.6 mtt180 -42.01 -44.91 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.433 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.3 t-105 -34.92 -43.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -39.53 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 13.3 p -60.7 -39.16 87.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.3 -14.43 4.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.9 t -52.41 -44.41 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 26.8 mt -39.03 -47.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.23 179.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 939' ' ' ARG . 10.1 pt-20 -124.4 151.47 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 938' ' ' GLU . 15.3 ttm180 -35.45 -46.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.12 -56.15 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.45 -46.31 83.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -56.48 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -54.79 -51.93 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -51.15 -57.59 8.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 41.4 mt -46.3 -56.47 5.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -51.01 -62.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -43.68 -42.33 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.1 -47.5 82.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -51.85 -56.75 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 22.2 mm -53.8 -54.75 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -50.57 -29.32 10.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -75.12 -56.26 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 87.6 mt -49.54 -34.32 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.07 -49.09 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -51.79 -43.46 63.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.77 98.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.77 -55.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -62.92 -40.33 97.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -64.11 -63.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -47.4 -55.2 9.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.84 -63.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -46.73 -38.03 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' A' ' 910' ' ' MET . 18.9 tp -69.53 -29.91 67.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.31 -42.03 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.544 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 48.0 t -74.81 -29.04 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.32 -41.87 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 910' ' ' MET . . . . . 0.413 ' CG ' HD12 ' A' ' 906' ' ' LEU . 76.9 mmm -84.47 -41.92 16.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 921' ' ' THR . 4.6 t -100.55 79.91 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -77.71 -14.76 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -99.71 176.53 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 95.1 p -125.89 -26.98 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.87 44.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 14.1 m -114.2 179.02 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.4 t -115.76 154.2 30.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.435 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 11.4 t-105 -55.4 -47.51 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 80.8 p -56.6 -57.9 10.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -53.02 5.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.456 ' CG2' HG22 ' A' ' 911' ' ' VAL . 86.7 m -63.09 -57.0 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.435 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 12.0 ttt180 -38.79 -61.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -56.49 -40.7 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 90.2 m -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 928' ' ' ASP . 15.0 mt -66.5 -51.22 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -38.14 -44.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -42.69 99.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 12.4 t70 -51.33 167.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 10.3 t-160 -86.38 -52.78 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 1.9 mpt_? -44.23 -40.36 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 930' ' ' ARG . 21.5 t-105 -37.53 -41.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -43.12 -50.33 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 7.4 m -71.84 -28.84 63.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.72 -12.82 29.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 29.8 m -48.2 -45.17 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 935' ' ' SER . 25.2 mt -37.35 -50.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.83 125.91 28.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.6 pt-20 -76.36 149.54 36.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 73.6 mtm180 -35.79 -49.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.67 -48.34 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.03 -40.42 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -60.45 -54.16 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.96 -49.99 62.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.16 -51.32 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.4 mt -56.63 -55.89 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -47.56 -55.25 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -49.22 -50.79 36.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.38 -45.3 88.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 13.5 t60 -52.41 -56.52 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 40.2 mm -51.76 -51.62 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -42.1 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 70.4 mt -44.79 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.778 0.323 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -41.66 -51.2 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 902' ' ' ASN . 7.9 pt-20 -50.66 -42.77 56.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.86 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 65.6 mt -51.53 -69.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -50.05 -49.45 51.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 898' ' ' GLU . 94.0 m-20 -53.09 -44.3 67.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 942' ' ' LYS . 23.1 t80 -56.92 -52.84 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -50.05 -60.83 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.63 -30.02 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.53 -45.82 64.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 35.4 t -66.14 -50.47 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -59.23 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 98.0 mmm -62.07 -44.47 96.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 6.6 t -106.2 90.23 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -89.1 -2.13 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 47.2 m -106.25 172.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 17.2 p -123.25 -11.89 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.86 48.64 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . 0.418 ' CG2' HD13 ' A' ' 950' ' ' ILE . 19.6 m -112.43 -177.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.5 m -119.78 140.03 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.415 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 13.0 t-105 -44.6 -67.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 919' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 920' ' ' ASP . 82.1 p -41.65 -59.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 919' ' ' SER . 1.1 m-20 -37.72 -63.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 3.5 m -59.39 -38.21 79.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -48.11 -50.76 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -69.86 -45.89 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 55.5 m -46.77 -45.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.78 -36.13 57.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -49.72 -41.88 44.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -73.89 -27.45 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.11 160.89 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.05 -52.99 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.5 mtt85 -42.54 -49.97 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 934' ' ' GLY . 7.7 t-105 -36.82 -43.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -38.99 -61.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 4.4 m -66.55 -21.98 66.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -68.71 -10.09 60.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 5.3 m -45.75 -40.03 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.876 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 935' ' ' SER . 39.7 mt -37.38 -49.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.53 152.8 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.2 pt-20 -106.96 151.69 24.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 938' ' ' GLU . 16.2 ptt180 -34.91 -45.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.99 -53.79 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.54 -54.43 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 903' ' ' PHE . 31.7 mttm -46.8 -56.66 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.94 -53.23 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -45.54 -47.29 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 946' ' ' PHE . 26.5 mt -62.37 -66.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 945' ' ' LEU . 43.2 t80 -36.98 -33.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 945' ' ' LEU . 23.1 m-20 -70.63 -56.76 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 5.7 pt-20 -53.7 -47.26 70.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 14.2 t60 -56.92 -64.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . 0.418 HD13 ' CG2' ' A' ' 916' ' ' VAL . 16.4 mm -41.9 -56.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 5.1 pt-20 -62.01 -31.83 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -66.69 -24.42 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.31 -41.55 56.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -44.18 -48.97 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.53 -46.01 57.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.06 83.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.39 -66.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -45.88 -52.13 11.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -56.2 -36.55 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . 0.516 ' CD2' HD12 ' A' ' 907' ' ' LEU . 13.5 t80 -68.18 -46.8 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -52.27 -56.12 16.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.95 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.1 tp -58.88 -36.54 74.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . 0.516 HD12 ' CD2' ' A' ' 903' ' ' PHE . 67.0 mt -64.13 -45.46 88.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 42.5 t -70.66 -53.36 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.56 -47.43 70.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 98.5 mmm -75.69 -40.6 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.76 78.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.56 -18.18 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 913' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 953' ' ' LEU . 63.5 m -94.03 178.01 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 90.1 p -125.75 -35.65 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -80.85 46.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 30.7 m -103.66 -176.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 19.3 m -113.34 144.39 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.513 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 6.9 t-105 -57.82 -54.47 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 70.8 m -50.08 -52.21 36.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -50.58 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 56.9 m -57.75 -59.4 5.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . 0.513 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 51.3 ttt180 -39.77 -50.85 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -69.47 -35.19 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 41.2 m -65.44 -31.08 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.42 -30.08 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.95 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -42.21 15.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 7.6 t70 -51.36 164.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . 0.495 ' CD2' ' HD2' ' A' ' 930' ' ' ARG . 1.4 p-80 -87.69 -43.73 11.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.495 ' HD2' ' CD2' ' A' ' 929' ' ' HIS . 1.1 mpt_? -42.64 -45.83 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.507 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -45.41 -40.37 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 931' ' ' TRP . 28.5 mm-40 -35.6 -53.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 3.1 m -72.89 -32.74 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -57.05 -11.81 6.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 30.0 m -45.29 -43.55 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 39.0 mt -39.26 -43.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 23.8 mt -72.81 157.64 37.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.41 163.59 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -43.5 -32.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . 0.458 ' N ' ' HD2' ' A' ' 939' ' ' ARG . 6.7 tt0 -69.31 -46.95 65.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.34 -45.22 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.507 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 52.1 mttt -61.44 -51.51 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -57.55 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -58.35 -54.83 42.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 25.1 mt -47.75 -47.08 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -56.78 -67.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -38.93 -45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -61.66 -52.68 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 24.4 t60 -49.84 -56.13 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 10.9 mm -50.7 -59.6 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -46.5 -36.44 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.4 68.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 913' ' ' SER . 60.1 mt -45.74 -56.12 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 897' ' ' GLU . 13.7 ttp-105 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.765 0.317 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 896' ' ' ARG . 28.7 mp0 -37.54 -56.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -46.64 -48.53 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.68 98.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.29 -60.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -56.88 -50.65 71.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.89 -42.71 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -59.06 -48.58 81.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -53.71 -56.32 18.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.74 82.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.31 -31.96 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 56.4 mt -70.2 -47.01 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 73.5 m -63.63 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.09 -65.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.0 mmm -60.55 -37.14 80.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . 0.411 ' CG2' ' CG2' ' A' ' 921' ' ' THR . 16.4 t -122.73 78.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -89.43 -18.79 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 25.6 t -73.98 160.06 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 90.0 p -112.24 -6.59 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -102.79 46.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.33 141.72 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 50.6 m -94.02 168.3 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 919' ' ' SER . 24.6 t-105 -52.42 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 919' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 918' ' ' TRP . 16.2 m -34.57 -51.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -61.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 921' ' ' THR . . . . . 0.411 ' CG2' ' CG2' ' A' ' 911' ' ' VAL . 79.1 m -57.78 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.23 -56.51 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -61.26 -37.59 83.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 39.3 m -56.21 -55.33 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -41.97 -33.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . 0.4 ' CE ' ' HA ' ' A' ' 927' ' ' LYS . 3.0 mmpt? -79.95 -44.26 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 19.8 t0 -52.57 149.32 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . 0.436 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 2.1 m-70 -72.03 -40.79 68.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 931' ' ' TRP . 9.7 mpt_? -53.45 -48.87 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 930' ' ' ARG . 14.0 t-105 -36.67 -37.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -46.28 -61.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 m -57.7 -38.84 75.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.76 -14.31 5.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -43.77 -36.28 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 48.5 mt -41.86 -46.46 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.63 163.69 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.29 155.05 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -42.3 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . 0.444 ' N ' ' HG2' ' A' ' 939' ' ' ARG . 25.9 tt0 -74.49 -49.01 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -64.94 -35.55 81.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.09 -53.91 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 943' ' ' GLU . 1.2 tm-20 -54.22 -41.75 69.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.44 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 23.1 mt -47.34 -42.9 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.24 -53.86 53.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.62 -56.02 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -46.43 -44.91 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 31.7 t60 -57.61 -55.7 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.89 -63.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.5 -30.93 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.19 77.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 22.8 mt -67.07 -44.9 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.772 0.32 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.36 -50.72 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.71 90.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 86.4 mt -58.7 -56.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.89 -47.72 79.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -54.66 -43.36 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.66 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -48.09 -59.16 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.19 65.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.37 -36.26 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.13 -49.96 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 908' ' ' SER . . . . . 0.412 ' HA ' ' NE2' ' A' ' 949' ' ' HIS . 28.4 t -63.03 -50.77 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.3 -61.89 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 910' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' A' ' 925' ' ' LEU . 14.9 mmm -61.98 -31.92 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 4.2 t -127.12 89.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -95.41 -7.1 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 43.2 t -86.2 163.08 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 87.8 p -118.46 -1.6 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -116.07 48.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 6.5 m -123.57 157.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.7 t -100.41 147.81 25.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -47.11 -48.12 23.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.3 m -43.86 -57.17 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.61 -47.33 79.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 95.8 m -54.89 -45.57 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -60.81 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -27.61 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 52.7 m -70.93 -61.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 928' ' ' ASP . 40.5 mt -61.17 -47.42 86.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 925' ' ' LEU . 28.3 mtp85 -35.74 -49.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -58.94 -42.43 89.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.6 t0 -58.89 145.18 42.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -66.88 -44.1 81.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 5.7 mmt-85 -45.37 -53.14 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.41 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 20.7 t-105 -37.39 -42.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -42.98 -49.94 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 16.0 m -67.95 -37.07 81.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.12 -14.45 11.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 935' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' LEU . 39.5 t -42.2 -40.96 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 935' ' ' SER . 35.9 mt -37.38 -49.97 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.19 147.46 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.9 pt-20 -93.5 146.77 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.0 OUTLIER -34.99 -47.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.69 -52.74 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.03 -44.62 96.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . 0.41 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 60.7 mttm -57.56 -53.86 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.65 -45.87 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -54.84 -50.4 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 37.3 mt -55.64 -52.22 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -53.66 -57.79 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -48.36 -41.51 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.68 -42.84 73.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . 0.412 ' NE2' ' HA ' ' A' ' 908' ' ' SER . 47.9 t60 -55.74 -43.28 76.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 51.4 mm -66.99 -49.02 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -31.19 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -72.39 -53.46 12.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 45.0 mt -38.94 -50.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 82.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.754 0.312 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.18 -33.63 53.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.32 -50.22 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 899' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 936' ' ' LEU . . . -58.35 -40.37 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.43 -65.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.01 -44.66 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -56.99 -53.12 61.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -54.02 -48.12 70.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.26 90.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.04 -31.69 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.07 -56.3 7.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.8 t -62.58 -21.42 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.75 -65.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.1 mmm -71.03 -47.16 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 59.2 t -98.98 62.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -74.7 -12.6 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 68.9 p -84.46 164.9 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 92.0 p -122.26 9.14 9.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.43 39.59 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.21 154.14 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.6 t -98.37 148.69 23.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -47.58 -45.68 27.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 26.7 p -51.34 -56.46 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -52.86 -39.17 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 20.3 m -67.56 -46.85 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -55.93 -36.38 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -82.58 -30.58 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 5.9 m -67.62 -46.52 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 925' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 928' ' ' ASP . 43.7 mt -70.43 -42.42 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -39.59 -50.58 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -30.14 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 928' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -60.79 168.54 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -46.0 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 930' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.4 mpt_? -50.01 -44.72 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 931' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 930' ' ' ARG . 31.5 t-105 -37.39 -41.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -46.62 -57.01 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.5 m -59.29 -39.02 81.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.85 -14.0 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.4 m -43.44 -45.0 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 936' ' ' LEU . . . . . 0.411 HD13 ' CB ' ' A' ' 899' ' ' ALA . 21.7 mt -39.75 -56.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.1 mt -60.24 163.14 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.37 159.7 15.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -46.28 -45.83 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.32 -57.85 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -50.76 -51.82 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -54.1 -55.13 30.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.84 -52.51 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -52.37 -52.78 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.03 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -39.46 -60.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -45.57 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.37 -46.24 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -52.4 -52.13 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 950' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 953' ' ' LEU . 36.2 mm -58.33 -63.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 951' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 950' ' ' ILE . 75.5 mm-40 -38.32 -45.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.6 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 953' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 950' ' ' ILE . 75.6 mt -56.95 -55.31 36.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 82.4 p -53.04 123.91 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 47.9 m -58.12 -58.8 6.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -53.37 135.26 41.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 70.0 m -92.75 130.91 38.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 87.7 p -158.8 155.62 28.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 103.45 166.64 25.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.83 38.47 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -57.53 -53.24 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 894' ' ' HIS . 31.3 mt-10 -122.68 101.33 7.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 892' ' ' GLU . 13.6 ptm180 -112.07 -45.56 3.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 891' ' ' ARG . 22.3 mt-10 -48.9 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 894' ' ' HIS . 33.2 tt0 -52.58 -55.06 24.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 893' ' ' GLN . 6.6 m170 -35.81 -54.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -42.29 -50.39 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 897' ' ' GLU . 58.9 ttp180 -69.44 -53.81 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 48.3 mm-40 -36.23 -52.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -48.83 -46.3 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.72 94.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.9 mt -55.26 -64.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.78 -46.25 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.41 -40.85 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -59.94 -52.8 63.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.93 -54.11 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.4 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.14 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.76 -43.04 80.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.494 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 46.5 t -68.39 -45.38 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.96 -58.66 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 74.4 mmm -67.99 -56.42 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 7.6 t -100.48 73.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -75.52 -21.27 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 4.8 m -86.17 170.08 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.1 p -126.85 5.42 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.33 34.55 2.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.54 167.14 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.0 t -109.73 154.79 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.477 ' CD2' ' HG3' ' A' ' 943' ' ' GLU . 37.3 t-105 -50.51 -61.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 919' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 918' ' ' TRP . 5.4 m -34.99 -69.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.56 -51.45 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 922' ' ' ARG . 21.0 m -53.21 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 921' ' ' THR . 20.8 ttt180 -38.32 -55.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.74 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 78.8 m -62.95 -47.92 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.8 -36.84 84.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -53.65 -25.51 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -84.69 -33.06 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.81 163.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -82.47 -57.43 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -46.75 -41.75 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -39.41 -42.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -56.17 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 15.2 m -67.79 -26.21 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.63 48.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 935' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 936' ' ' LEU . 45.1 t -41.78 -43.77 3.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 935' ' ' SER . 35.8 mt -34.66 -55.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.61 118.78 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.8 pt-20 -62.84 153.24 33.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.4 OUTLIER -37.98 -50.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.52 -52.58 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.457 ' OE1' ' CD1' ' A' ' 945' ' ' LEU . 5.4 tm-20 -53.04 -52.27 59.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -56.52 -54.79 41.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . 0.477 ' HG3' ' CD2' ' A' ' 918' ' ' TRP . 26.4 tt0 -50.05 -47.29 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -57.49 -49.97 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . 0.457 ' CD1' ' OE1' ' A' ' 941' ' ' GLU . 43.4 mt -52.09 -60.17 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -46.68 -61.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -44.86 -50.83 10.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.55 -41.06 80.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 55.3 t60 -61.12 -39.82 91.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.22 -62.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -47.1 -40.56 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.81 87.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 55.2 mt -53.48 -58.65 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 63.3 p -41.75 -46.27 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -47.85 -43.36 28.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.16 -41.56 81.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -43.07 123.58 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -54.78 -62.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -89.18 122.1 32.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 35.6 p -167.34 149.86 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -39.05 158.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.86 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 43.6 m -108.62 111.1 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 4.1 m -161.71 112.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 1.8 t -87.08 -57.3 3.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.923 0.392 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.1 t -72.31 146.59 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 171.43 -83.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 886' ' ' SER . 22.0 p -98.38 104.49 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 885' ' ' SER . 50.3 m 35.55 43.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -93.74 -121.14 3.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -138.68 126.96 22.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 55.6 ttm-85 -84.7 -57.29 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -97.41 -39.92 8.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -64.69 96.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -82.34 -66.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -108.73 55.36 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -119.15 17.94 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -68.34 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 897' ' ' GLU . 73.7 ttt180 -73.69 -41.48 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 896' ' ' ARG . 5.4 mm-40 -36.98 -49.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.67 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -50.09 -51.51 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.14 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -48.72 -55.7 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -52.43 -39.22 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -57.37 -66.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -46.56 -55.04 8.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.47 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.58 -33.23 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 34.0 mt -71.43 -32.78 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.9 t -81.87 -26.8 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -77.81 -36.17 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.0 mmm -98.37 -67.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.17 58.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.46 -27.54 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.0 m -80.98 172.69 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 6.4 p -125.82 0.09 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.51 26.83 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 18.2 m -109.48 168.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.3 t -115.29 152.41 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.52 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 19.4 t-105 -44.97 -68.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 55.7 p -38.27 -66.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -42.6 -49.93 5.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 35.0 m -55.57 -60.7 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 39.9 ttt180 -41.17 -49.61 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -64.91 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 89.0 m -64.46 -54.86 25.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 928' ' ' ASP . 18.4 mt -59.76 -50.53 73.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 925' ' ' LEU . 49.8 mtp180 -35.12 -56.14 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -47.65 -42.31 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -51.28 165.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . 0.406 ' CE1' ' OE2' ' A' ' 932' ' ' GLU . 1.8 t60 -92.0 -50.0 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 4.9 mmt180 -45.29 -46.53 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.0 t-105 -37.38 -39.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 929' ' ' HIS . 27.0 mt-10 -42.61 -50.42 5.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.5 m -68.64 -32.85 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.84 -13.25 6.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 935' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 936' ' ' LEU . 19.3 t -46.64 -44.15 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.873 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 935' ' ' SER . 33.3 mt -35.44 -59.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.68 174.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.84 157.16 27.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -39.93 -45.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.4 -52.08 65.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -59.97 -51.35 70.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.3 -53.57 41.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -57.15 13.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 36.6 mt -47.39 -51.89 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 918' ' ' TRP . 19.0 t80 -56.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -42.74 -47.97 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.8 -48.34 72.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -57.93 -47.7 82.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 45.2 mm -52.88 -60.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 7.6 pt-20 -57.34 -38.72 74.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -58.51 -39.13 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.42 -55.67 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 64.6 p -44.99 -44.58 10.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -70.3 -66.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 957' ' ' LYS . 3.6 mmmm -38.81 -43.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 956' ' ' LYS . 25.7 tptt -37.4 138.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -138.42 159.86 41.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 960' ' ' SER . 9.3 tp10 -49.22 -56.07 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 960' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 959' ' ' GLU . 48.1 m -35.53 -62.84 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 50.27 81.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 172.56 12.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 19.1 m -115.73 -62.38 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 1.4 t -107.81 147.15 31.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 79.7 p -170.31 146.26 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.7 t -93.21 55.82 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 169.54 154.38 9.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 16.2 m -43.74 123.92 3.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 2.9 m -76.45 114.66 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -136.56 -171.1 12.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -131.55 -50.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 890' ' ' GLU . 0.0 OUTLIER -40.9 -45.44 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 889' ' ' ARG . 26.2 tt0 -37.98 -42.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 890' ' ' GLU . 22.7 ptt180 -37.86 -47.01 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -40.07 -55.13 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -98.87 42.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 895' ' ' LYS . 4.2 t60 -113.71 -54.56 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 894' ' ' HIS . 22.1 mmmt -37.44 -47.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -72.97 -49.15 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -40.96 -52.3 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.87 -43.35 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 84.1 mt -55.82 -60.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.68 -51.9 67.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -53.35 -43.69 67.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.19 -54.92 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -49.04 -55.47 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.4 -43.9 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.01 -41.19 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 43.2 t -78.58 -25.18 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.08 -38.78 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 41.5 mmm -98.61 -54.4 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.99 64.33 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -69.08 -6.33 27.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 26.3 m -102.12 175.31 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.9 p -121.2 -20.21 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -87.93 46.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.75 -176.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.5 t -120.73 156.69 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.556 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 13.1 t-105 -62.9 -44.68 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.2 m -63.72 -53.41 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.06 -47.51 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 922' ' ' ARG . 61.7 m -64.48 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.556 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 56.6 ttt180 -34.87 -60.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 -58.28 -42.85 87.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 98.0 m -54.64 -26.58 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 17.9 mt -94.26 -33.63 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -48.69 -41.33 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -72.54 -29.69 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.64 170.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -93.83 -47.79 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 -33.32 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -39.94 -37.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -55.81 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.3 p -55.02 -39.29 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.0 6.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.5 t -51.37 -51.55 53.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 29.2 mt -42.95 -38.31 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . 0.405 ' O ' ' NZ ' ' A' ' 942' ' ' LYS . 15.7 mt -76.37 115.12 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 941' ' ' GLU . 15.5 pt-20 -64.59 154.53 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -54.35 -43.72 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 938' ' ' GLU . 12.1 mm-40 -69.65 -36.1 75.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 937' ' ' LEU . 37.0 mttp -66.43 -49.0 68.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.11 -57.36 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -61.05 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 32.1 mt -43.57 -48.87 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -53.34 -55.47 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -52.36 -47.44 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -50.75 -48.0 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 950' ' ' ILE . 53.5 t60 -58.65 -63.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 949' ' ' HIS . 25.2 mm -37.33 -47.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.44 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.78 -55.38 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 61.0 p -64.99 -61.67 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -38.8 -44.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -71.48 -57.0 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 958' ' ' ARG . 8.6 mtpm? -39.68 149.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . 0.54 ' N ' ' NE ' ' A' ' 958' ' ' ARG . 0.0 OUTLIER -37.99 115.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -139.98 160.22 40.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 10.2 t -63.91 86.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 131.64 79.37 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 160.67 48.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 66.3 p -105.34 -64.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 68.6 m -150.1 173.93 13.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 64.6 p -138.35 137.31 37.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 29.5 t -67.69 136.82 54.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -77.54 156.24 44.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 886' ' ' SER . 23.8 m -56.81 112.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 885' ' ' SER . 35.1 p -38.44 143.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 150.71 -142.61 9.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.463 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 891' ' ' ARG . 0.7 OUTLIER -59.68 -44.77 93.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -45.26 -48.03 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -66.82 -23.4 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 888' ' ' ASP . 23.0 ttp180 -97.76 39.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -84.29 -50.37 7.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -118.63 38.23 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -68.99 -40.45 78.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -38.66 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -87.34 -49.66 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -39.58 -59.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 899' ' ' ALA . 11.8 pt-20 -41.3 -51.68 3.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 898' ' ' GLU . . . -54.13 -50.7 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 95.3 mt -52.89 -65.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -50.42 -53.53 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -55.27 -37.56 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -58.35 -49.17 78.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -60.05 -47.77 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.2 84.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.63 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 911' ' ' VAL . 81.8 mt -65.78 -47.9 73.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 30.0 t -61.42 -47.36 86.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.02 -65.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 71.9 mmm -64.37 -55.67 19.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 907' ' ' LEU . 15.5 t -102.24 69.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.1 ttp-105 -75.45 -26.04 57.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -83.02 163.22 21.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 5.3 p -120.61 19.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.08 33.08 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.1 173.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.1 t -111.18 158.83 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.432 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.9 t-105 -53.73 -56.0 21.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 5.2 t -48.57 -67.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 58.2 m-20 -38.8 -51.19 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 97.9 m -58.87 -45.48 90.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.432 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 7.0 ttt-85 -53.59 -46.06 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 26.9 ptt180 -73.15 -24.68 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.8 m -75.12 -41.9 57.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.06 -37.6 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -49.35 -47.42 47.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -65.37 -30.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -58.0 159.27 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.81 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -79.56 -58.83 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.9 mtt180 -42.27 -42.39 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.531 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 6.6 t-105 -34.5 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 8.9 t -59.74 -43.95 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.0 -14.7 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 85.5 p -53.02 -39.32 63.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.34 -42.24 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.24 175.1 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.7 pt-20 -121.15 148.12 44.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 938' ' ' GLU . 10.1 ptt180 -35.01 -44.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.41 -61.0 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.91 -46.52 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.531 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 20.5 mtpp -56.11 -61.48 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.89 -47.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . 0.404 ' C ' ' HD2' ' A' ' 944' ' ' LYS . 3.7 tmmm? -59.06 -50.02 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 30.2 mt -52.04 -60.09 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.453 ' CZ ' HG13 ' A' ' 950' ' ' ILE . 21.7 t80 -49.87 -59.45 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -46.65 -44.4 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.34 -52.03 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -53.36 -54.54 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . 0.453 HG13 ' CZ ' ' A' ' 946' ' ' PHE . 26.1 mm -54.75 -55.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.41 -39.27 60.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.49 -53.59 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 31.9 mt -47.17 -63.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 18.3 p -45.72 -54.06 8.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -51.99 -47.2 64.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -62.23 -57.47 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -41.88 151.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 16.7 mtm105 -67.83 169.03 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.89 -60.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 73.3 m -124.13 125.87 45.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -67.86 -84.23 0.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -177.8 2.04 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 77.8 p -155.22 129.25 8.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 4.1 m -82.09 116.71 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 34.2 p -135.24 149.15 49.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 37.6 m -108.24 98.38 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -153.61 130.45 2.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 57.9 m -107.37 93.78 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 43.7 p -107.01 155.62 19.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 107.23 144.94 11.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.09 -41.42 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -63.83 -35.54 80.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . 0.444 ' HG2' ' CE1' ' A' ' 894' ' ' HIS . 10.6 tt0 -74.81 -20.55 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -78.91 -9.99 59.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -82.24 -19.47 39.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -121.99 26.01 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' A' ' 890' ' ' GLU . 11.7 m170 -113.56 38.25 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -63.33 -67.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -67.04 -53.57 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -39.97 -43.92 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.3 -45.55 90.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.08 95.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.65 -62.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -54.96 -45.33 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -58.93 -43.14 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -56.24 -50.84 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -54.42 -56.56 17.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.33 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.54 -36.62 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 911' ' ' VAL . 56.7 mt -61.84 -48.5 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 24.6 t -62.71 -49.93 73.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.05 -46.98 84.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 70.7 mmm -78.95 -21.77 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 907' ' ' LEU . 13.2 t -127.65 92.76 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -93.75 -2.57 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.8 m -102.62 179.08 4.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 99.7 p -128.27 -30.48 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.73 44.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.55 -175.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 23.4 m -118.31 142.18 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.53 -39.31 76.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 17.0 m -65.65 -43.45 89.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.85 -54.87 39.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 44.0 m -66.47 -50.6 62.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -42.12 -45.11 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -75.97 -45.14 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 58.0 m -49.92 -48.27 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 928' ' ' ASP . 24.1 mt -66.86 -48.54 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . 0.463 ' HG2' ' CZ2' ' A' ' 931' ' ' TRP . 9.0 mtp-105 -43.96 -28.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.24 -33.58 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 925' ' ' LEU . 30.5 t0 -56.71 174.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -91.39 -46.84 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.62 -35.51 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.463 ' CZ2' ' HG2' ' A' ' 926' ' ' ARG . 9.8 t-105 -43.44 -34.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.83 -55.34 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.5 t -60.21 -29.65 68.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.75 -12.64 28.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.3 m -51.28 -43.01 61.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 16.6 mt -40.53 -44.13 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.24 161.48 29.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 939' ' ' ARG . 14.6 pt-20 -111.42 155.92 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 48.0 mtm-85 -37.18 -43.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.89 -55.44 34.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.74 -44.55 90.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -56.38 -52.62 63.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.36 -56.18 25.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -44.38 -52.81 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 946' ' ' PHE . 40.1 mt -58.52 -66.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 945' ' ' LEU . 42.7 t80 -36.05 -35.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -68.87 -58.25 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 4.9 pt-20 -52.46 -46.77 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.479 ' N ' ' CG ' ' A' ' 948' ' ' GLU . 19.6 t60 -55.55 -64.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 19.9 mm -42.41 -63.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -52.48 -30.87 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.39 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.88 -43.91 94.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 41.3 p -62.95 -60.26 3.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.41 -47.84 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 957' ' ' LYS . 0.0 OUTLIER -56.36 -47.38 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 956' ' ' LYS . 37.1 tttp -34.56 -57.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -70.86 76.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -126.2 131.87 51.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 68.0 m -74.27 -52.28 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -130.77 83.39 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.96 66.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.733 2.289 . . . . 0.0 112.333 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 20.4 p -103.1 -17.53 15.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 59.6 p -76.19 123.54 26.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.5 t -59.06 -54.36 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.82 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.0 m -93.78 -49.11 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 72.48 169.05 12.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 28.0 t -158.54 149.42 20.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 12.6 m -93.29 95.37 9.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -148.44 157.82 27.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.24 -30.69 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -47.48 -35.9 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.63 -40.16 62.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 891' ' ' ARG . 0.3 OUTLIER -38.46 -44.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 891' ' ' ARG . 21.8 tt0 -53.28 -59.65 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -97.62 40.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -77.11 -51.22 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -38.78 -47.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 8.4 ttm105 -68.49 -54.15 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -40.43 -48.71 2.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.33 -47.68 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -57.49 -43.36 84.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.05 -66.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.75 -50.87 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -56.35 -37.72 70.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . 0.443 ' CZ ' ' HG2' ' A' ' 942' ' ' LYS . 25.4 t80 -60.38 -46.99 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -58.4 -50.37 73.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.27 93.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.84 -41.93 98.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.46 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 22.7 t -62.6 -45.45 92.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 -60.24 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 3.9 mmt -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.97 93.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -94.13 -7.58 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 23.6 m -97.59 -175.41 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 11.7 p -131.67 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -84.58 43.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.71 170.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 9.4 m -108.27 140.98 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -49.46 -48.96 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 15.4 t -47.97 -63.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -45.22 -51.66 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 922' ' ' ARG . 19.6 m -57.55 -65.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 921' ' ' THR . 11.4 ttt85 -36.75 -48.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -52.84 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.7 m -43.89 -36.52 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 928' ' ' ASP . 16.7 mt -83.43 -45.0 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 925' ' ' LEU . 17.2 mtp85 -36.31 -52.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -64.68 -39.25 93.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 925' ' ' LEU . 22.9 t0 -51.89 140.5 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -64.69 -54.33 33.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 931' ' ' TRP . 63.1 mtt180 -42.62 -50.83 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.535 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -37.8 -44.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -41.15 -58.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 18.9 m -54.84 -36.92 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.43 -13.4 3.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 12.4 t -39.72 -44.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 16.9 mt -40.92 -43.99 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.57 174.18 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.65 165.28 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -49.31 -25.62 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.47 -47.28 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -70.11 -34.45 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.535 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 45.5 mttm -70.55 -44.01 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -68.78 -51.04 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -58.66 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 27.9 mt -50.94 -49.14 60.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -53.14 -60.61 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -48.44 -44.94 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.17 -47.25 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 22.4 t60 -56.3 -46.13 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 27.0 mm -59.65 -41.66 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.04 -47.95 80.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.39 85.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 81.1 mt -51.17 -52.13 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 43.1 p -67.86 -61.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -40.33 -50.04 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.4 -59.08 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -41.64 -63.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 958' ' ' ARG . 12.5 mtp-105 -79.47 52.36 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.27 157.81 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 4.1 t -137.51 108.96 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 138.39 162.08 9.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -19.41 36.15 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.336 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 43.1 t -64.61 121.21 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 48.1 t -98.46 156.39 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 14.5 t -120.82 154.22 36.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 15.6 t -134.41 101.72 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -75.51 154.56 45.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 39.3 m -70.92 -50.62 32.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 61.2 p -154.97 169.53 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 83.35 108.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -46.4 108.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.86 -59.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -84.29 -30.61 25.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 891' ' ' ARG . 7.6 mtp-105 -89.39 44.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -54.25 -66.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -108.93 78.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -128.59 -43.01 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -36.98 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -84.26 -36.87 22.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.13 -45.02 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.31 -51.68 61.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 936' ' ' LEU . . . -54.44 -49.39 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.3 -63.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -54.22 -49.78 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -59.84 -26.79 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -69.35 -66.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -47.02 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.39 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.0 tp -62.72 -41.84 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 88.2 mt -59.84 -42.04 92.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 33.0 t -67.77 -34.21 76.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.03 -62.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 36.6 mmm -66.94 -48.44 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . 0.421 HG23 ' CG2' ' A' ' 921' ' ' THR . 21.8 t -107.19 71.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 912' ' ' ARG . 6.4 tmm_? -82.69 -26.36 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 160.54 27.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 83.1 p -112.65 -8.81 13.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -104.39 46.85 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.5 m -123.76 147.46 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 20.3 p -92.62 159.52 15.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 17.6 t-105 -57.4 -54.87 41.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.1 t -41.2 -49.21 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.14 -61.34 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.425 ' OG1' ' CE1' ' A' ' 946' ' ' PHE . 89.1 m -42.16 -47.14 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -59.0 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -57.01 -15.25 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 66.4 m -87.04 -58.61 2.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.75 -35.33 80.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -45.96 -60.09 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -59.79 -30.76 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.16 158.32 11.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -77.96 -55.11 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.2 mpt_? -38.38 -56.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.47 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 41.1 t-105 -34.56 -46.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -41.2 -59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.4 m -58.47 -39.98 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 935' ' ' SER . . . -55.41 -14.29 6.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 935' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 934' ' ' GLY . 3.6 m -36.99 -38.84 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' A' ' 899' ' ' ALA . 23.5 mt -42.03 -49.59 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.93 170.06 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -119.84 152.12 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 939' ' ' ARG . 3.6 tmm_? -39.92 -41.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.66 -55.06 37.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.47 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 67.3 mttt -59.11 -49.82 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -51.03 -59.15 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -54.09 -61.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 34.4 mt -38.8 -47.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 918' ' ' TRP . 19.5 t80 -59.89 -50.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.09 -49.25 74.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.46 -44.76 85.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -54.66 -55.65 27.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 16.5 mm -53.84 -67.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.1 -35.27 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.0 -51.06 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 41.6 mt -38.81 -63.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 23.9 p -53.54 -56.51 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -38.08 -49.19 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 957' ' ' LYS . 15.0 mmmt -73.81 -57.81 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 956' ' ' LYS . 36.4 tttt -34.52 144.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -37.76 140.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 960' ' ' SER . 54.7 mm-40 -137.63 167.68 21.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 960' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 959' ' ' GLU . 20.4 m -34.79 -45.1 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -121.55 147.67 17.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.06 8.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.226 . . . . 0.0 112.369 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 2.6 m -169.19 138.46 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 30.4 p -55.52 170.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 55.9 p -117.69 131.39 56.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 69.5 m -98.98 169.34 9.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -179.2 -77.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 4.0 m -104.11 121.15 42.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 71.1 m -74.2 150.26 40.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -115.75 -179.36 18.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -104.69 38.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 12.5 mmt-85 -61.89 -58.94 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -126.7 100.77 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -109.13 -26.37 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -80.84 -39.79 25.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -94.24 40.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 897' ' ' GLU . 5.2 t-80 -116.28 41.23 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -80.69 -56.94 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -78.17 -40.54 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 894' ' ' HIS . 5.1 mm-40 -38.72 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.38 -43.46 23.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.6 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.07 -63.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.29 -48.28 71.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.24 -51.26 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -50.42 -61.31 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -44.87 -59.47 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -49.33 -40.65 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.24 -44.17 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 911' ' ' VAL . 66.6 mt -55.71 -37.06 67.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 16.6 m -75.73 -38.99 58.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.14 -39.75 90.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.2 mmm -95.81 -52.86 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 907' ' ' LEU . 34.0 t -101.07 60.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -64.7 -27.99 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 175.85 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 93.9 p -124.27 -31.93 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.32 44.65 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 34.0 m -107.95 168.76 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 10.4 t -102.21 151.49 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.548 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 3.6 t-105 -54.42 -52.51 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 10.5 t -55.08 -57.81 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -43.79 -50.05 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.543 HG23 ' CD1' ' A' ' 946' ' ' PHE . 88.0 m -57.96 -52.83 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.548 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 34.4 ttt-85 -44.29 -62.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -54.54 -51.63 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 56.0 m -43.03 -37.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.4 HD12 ' CD2' ' A' ' 907' ' ' LEU . 26.1 mt -87.39 -41.25 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -46.95 -52.95 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -35.0 78.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.61 168.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 930' ' ' ARG . 2.7 m-70 -87.4 -57.08 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 931' ' ' TRP . 7.4 mpt_? -37.17 -41.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.565 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 21.8 t-105 -34.58 -46.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 931' ' ' TRP . 15.4 mt-10 -35.04 -62.28 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.1 m -61.76 -40.89 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.56 -14.73 3.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.3 m -47.49 -41.89 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 38.9 mt -41.94 -46.39 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.22 137.16 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 940' ' ' GLU . 9.9 pt-20 -87.25 150.22 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.0 OUTLIER -36.11 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 938' ' ' GLU . 1.9 tp10 -69.88 -49.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 938' ' ' GLU . 3.9 mm-40 -58.88 -35.26 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.565 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 40.2 mttp -67.85 -50.05 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.0 -47.22 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -67.63 -64.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.32 -49.92 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 921' ' ' THR . 31.2 t80 -56.57 -51.84 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.31 -51.75 56.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.58 -50.3 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -50.05 -51.69 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 14.6 mm -56.08 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -44.36 -44.75 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.66 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 72.1 mt -50.33 -61.65 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 35.5 p -51.83 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -42.09 -53.77 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 957' ' ' LYS . 0.2 OUTLIER -51.02 -54.77 21.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 956' ' ' LYS . 66.6 tttt -36.24 -54.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -48.26 143.26 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -40.71 155.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 74.9 p -109.63 169.53 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -117.39 163.55 12.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.92 68.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 4.5 m -98.21 -41.52 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 21.7 m 44.49 27.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 57.0 m -143.17 168.68 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 78.5 p -125.67 -50.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 132.74 -126.53 4.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 20.6 m -91.3 162.85 14.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 43.1 m -113.59 43.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 168.29 142.51 3.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -90.38 -18.02 26.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.41 ' NH1' ' HB3' ' A' ' 889' ' ' ARG . 18.4 ttp-105 -72.15 -21.63 61.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 894' ' ' HIS . 44.2 mt-10 -68.46 -8.76 43.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -62.88 -9.12 8.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.42 -48.39 34.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -110.94 32.95 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 890' ' ' GLU . 0.2 OUTLIER -119.52 41.81 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -82.82 -63.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 896' ' ' ARG . 19.9 ttp-105 -71.84 -42.92 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.19 -56.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -48.58 43.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -56.49 -43.79 80.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 98.4 mt -57.65 -64.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -54.68 -47.55 73.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -56.4 -40.02 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . 0.447 ' CD2' HD11 ' A' ' 945' ' ' LEU . 31.0 t80 -59.86 -54.62 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.05 -50.48 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.08 74.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.52 -33.26 74.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.12 -42.89 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.413 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 27.0 t -74.57 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.51 -42.7 70.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 16.2 mmm -95.61 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.13 55.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.37 -20.84 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 2.9 m -84.52 167.75 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.2 p -123.92 11.27 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -111.55 37.44 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.33 175.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 16.6 m -112.99 152.88 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -53.81 -56.06 20.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 9.0 m -44.6 -63.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -49.18 -39.17 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 98.8 m -65.63 -44.87 85.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.08 -51.25 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -67.64 -24.82 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 8.6 m -69.74 -50.41 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.51 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 22.1 mt -75.38 -45.55 38.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . 0.467 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 45.9 mtp85 -36.8 -53.32 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -35.62 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 34.0 t70 -53.0 156.49 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.22 -60.27 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 931' ' ' TRP . 35.1 mtt85 -42.11 -52.68 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 925' ' ' LEU . 14.8 t-105 -36.49 -43.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 931' ' ' TRP . 16.1 tt0 -36.18 -61.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 12.0 m -53.95 -38.9 65.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -52.9 -14.45 2.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -46.57 -31.69 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 32.4 mt -48.16 -42.86 30.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . 0.454 ' CD2' ' OE1' ' A' ' 941' ' ' GLU . 14.7 mt -67.3 175.79 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.8 pt-20 -122.14 148.46 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 33.0 mtt180 -35.33 -43.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.08 -59.88 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.454 ' OE1' ' CD2' ' A' ' 937' ' ' LEU . 8.3 tm-20 -53.05 -42.56 65.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -59.52 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -47.1 -48.67 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -57.92 -51.35 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 903' ' ' PHE . 71.6 mt -51.36 -61.07 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -46.44 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -42.18 -51.59 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -55.68 -45.21 77.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 68.2 t60 -56.79 -48.62 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.61 -52.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -56.37 -39.66 73.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.56 92.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.95 -59.32 5.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 72.8 p -40.36 -46.02 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -72.27 -46.21 56.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 957' ' ' LYS . 8.3 tmtm? -49.56 -54.86 15.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 956' ' ' LYS . 20.8 tttp -34.98 134.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 957' ' ' LYS . 15.2 tpp180 -37.14 126.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -128.82 -179.59 5.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 5.8 m -46.56 -50.67 16.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -70.77 146.35 41.62 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 147.55 62.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 36.8 m -166.32 141.74 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 6.8 t -146.45 150.24 35.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.3 t -127.5 117.73 22.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 49.1 m -41.82 133.5 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 138.74 94.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 74.4 m -94.67 149.61 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.383 . . . . 0.0 110.819 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 41.4 p -88.08 142.3 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 147.75 93.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -43.13 -43.39 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -36.07 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 892' ' ' GLU . 69.1 mt-10 -81.28 -44.88 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -40.72 -26.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 890' ' ' GLU . 15.4 tm-20 -60.07 -66.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -76.81 -41.73 43.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -45.26 -37.15 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -58.41 -38.88 78.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 897' ' ' GLU . 46.4 ttp180 -77.45 -41.86 38.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 8.8 mm-40 -35.28 -65.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -41.56 -45.78 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -59.55 -43.7 93.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 76.9 mt -59.31 -60.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.89 -48.77 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -55.77 -41.44 74.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . 0.545 ' CD2' HD11 ' A' ' 945' ' ' LEU . 28.8 t80 -58.84 -49.85 76.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -55.86 -50.07 71.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -55.95 -48.84 75.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 10.8 tp -55.87 -43.63 77.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 911' ' ' VAL . 58.6 mt -56.53 -49.63 74.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.469 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 17.1 t -60.61 -55.95 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.82 -64.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 40.2 mmm -61.07 -58.25 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 907' ' ' LEU . 5.8 t -101.01 72.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -75.13 -23.11 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.9 m -77.85 167.97 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 91.3 p -128.58 17.38 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -115.06 33.44 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.73 171.59 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 68.8 m -108.56 156.68 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.478 ' CD1' ' HG3' ' A' ' 943' ' ' GLU . 23.2 t-105 -56.16 -68.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 919' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 918' ' ' TRP . 8.8 m -35.45 -62.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 9.7 t0 -49.25 -43.19 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 946' ' ' PHE . 52.9 m -63.33 -42.09 98.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.46 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 17.0 ttt-85 -58.45 -52.59 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 8.8 ptp180 -58.0 -39.99 79.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 924' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' A' ' 923' ' ' ARG . 75.1 m -61.49 -68.12 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.417 ' O ' ' CB ' ' A' ' 928' ' ' ASP . 61.8 mt -47.25 -47.41 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 925' ' ' LEU . 38.7 mtp180 -37.01 -66.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -43.76 -42.06 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 925' ' ' LEU . 17.7 t0 -43.69 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -91.11 -51.15 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -48.4 -44.18 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -38.85 -34.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -45.92 -53.22 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.7 m -65.06 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.19 -14.39 11.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.1 m -45.48 -38.1 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 41.4 mt -41.29 -52.55 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . 0.432 ' O ' ' NZ ' ' A' ' 942' ' ' LYS . 14.8 mt -60.89 164.82 4.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.1 pt-20 -110.44 149.97 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 5.5 ttt180 -35.79 -43.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.35 -56.64 18.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -56.66 -44.27 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 937' ' ' LEU . 49.2 mttp -57.4 -59.14 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 918' ' ' TRP . 10.3 tt0 -51.78 -45.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -58.61 -47.53 84.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . 0.545 HD11 ' CD2' ' A' ' 903' ' ' PHE . 39.2 mt -54.43 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.461 ' CD1' HG23 ' A' ' 921' ' ' THR . 27.3 t80 -47.66 -62.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -41.52 -48.63 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -60.61 -42.49 96.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 48.5 t60 -58.83 -54.69 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . 0.433 HG13 ' CZ ' ' A' ' 946' ' ' PHE . 38.4 mm -51.46 -53.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.87 -43.84 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.36 69.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.75 -59.68 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 11.8 p -46.49 -50.68 16.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 956' ' ' LYS . 14.4 ttmt -67.36 -66.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 955' ' ' LYS . 15.2 mmmt -35.05 -52.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -40.45 132.64 2.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -97.32 88.6 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.48 85.88 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 12.7 t 52.5 41.49 30.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -79.02 150.17 33.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 97.19 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 17.6 t -78.04 91.55 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 3.1 m 58.6 41.81 21.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 31.5 p -37.77 129.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 67.1 m -103.54 -51.49 3.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -86.46 172.03 44.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 25.2 p -126.3 134.91 51.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 2.4 m -92.34 94.31 9.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -152.08 -159.62 9.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.05 115.78 3.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -118.85 -65.35 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -19.08 35.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -64.89 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -59.15 -34.84 72.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -118.79 45.44 2.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -97.42 37.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 895' ' ' LYS . 0.9 OUTLIER -81.19 -52.26 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 897' ' ' GLU . 30.9 ttm-85 -81.92 -47.81 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 896' ' ' ARG . 18.0 mm-40 -35.16 -58.91 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -49.33 -45.83 45.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.36 93.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 72.5 mt -57.66 -62.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -56.46 -47.3 79.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -58.28 -43.0 87.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . 0.5 ' CE2' HD12 ' A' ' 907' ' ' LEU . 15.9 t80 -55.18 -57.37 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -59.93 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.15 -39.73 60.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.92 -38.21 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.5 HD12 ' CE2' ' A' ' 903' ' ' PHE . 37.7 mt -68.26 -32.22 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.441 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 28.9 t -82.9 -26.92 31.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.71 -41.17 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 42.9 mmm -94.7 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 921' ' ' THR . 3.1 t -77.3 53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -62.26 -13.94 33.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 38.4 m -83.13 173.57 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.7 p -121.78 -35.39 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -80.61 47.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 30.4 m -112.97 168.67 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.5 m -107.42 147.31 30.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.401 ' CZ2' ' HG3' ' A' ' 922' ' ' ARG . 7.3 t-105 -53.28 -59.51 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 4.8 t -46.93 -51.58 16.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.77 -54.8 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.425 ' CG2' HG23 ' A' ' 911' ' ' VAL . 48.0 m -61.81 -43.61 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.401 ' HG3' ' CZ2' ' A' ' 918' ' ' TRP . 16.1 ttp180 -44.72 -58.9 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -62.62 -49.6 74.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 59.7 m -42.71 -51.42 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 928' ' ' ASP . 33.9 mt -67.31 -52.06 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 34.4 mtt180 -34.76 -55.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.99 -40.54 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 925' ' ' LEU . 29.3 t0 -50.13 172.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -89.26 -55.07 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 931' ' ' TRP . 8.1 mpt_? -44.43 -49.75 9.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.445 ' CD1' ' HA ' ' A' ' 926' ' ' ARG . 21.4 t-105 -35.89 -39.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.64 -55.37 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 10.3 m -67.46 -36.66 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.69 -13.52 6.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 935' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 936' ' ' LEU . 9.0 m -40.8 -43.95 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 935' ' ' SER . 30.9 mt -36.79 -50.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.67 127.23 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 941' ' ' GLU . 7.6 pt-20 -77.5 154.2 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 4.7 ttm105 -36.8 -43.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -49.18 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 938' ' ' GLU . 8.6 mm-40 -61.83 -43.73 98.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.418 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 35.8 mttm -61.95 -41.69 98.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.69 -55.07 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -59.8 -56.46 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . 0.495 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -46.52 -53.77 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.456 ' CE1' HD12 ' A' ' 950' ' ' ILE . 28.8 t80 -51.12 -58.63 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -48.02 -47.8 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.31 -44.19 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.441 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 73.9 t60 -60.98 -52.42 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . 0.456 HD12 ' CE1' ' A' ' 946' ' ' PHE . 42.9 mm -54.32 -65.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 11.4 pt-20 -46.96 -43.22 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -55.15 -45.14 75.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.33 -54.12 50.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 954' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 955' ' ' LYS . 32.3 p -64.56 -67.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 954' ' ' THR . 0.2 OUTLIER -34.85 -45.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -69.33 -59.82 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -47.3 124.64 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -119.75 164.85 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -47.83 109.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 4.1 m 59.93 43.95 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -101.97 158.04 18.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.53 21.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 49.3 m -147.78 170.89 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 90.3 p -87.52 171.35 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 62.6 p -104.14 101.12 10.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 80.6 p -170.36 153.95 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -156.85 47.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 86.9 p 42.3 42.59 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 23.1 m -84.86 94.63 8.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 50.6 -160.11 1.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.09 106.55 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 36.2 ttp85 -104.04 -43.79 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -113.09 -47.0 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -44.26 -24.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.6 -64.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -103.77 53.43 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.452 ' CG ' ' N ' ' A' ' 895' ' ' LYS . 4.9 p-80 -82.09 -42.17 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . 0.452 ' N ' ' CG ' ' A' ' 894' ' ' HIS . 30.4 mmtm -39.82 -39.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -79.59 -46.36 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.36 -51.54 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -50.15 -54.6 19.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -51.98 -46.83 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.22 -67.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.56 -53.02 33.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -53.93 -35.46 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -62.34 -53.66 51.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -53.01 -55.34 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.98 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.11 -45.85 91.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 48.5 mt -54.86 -41.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 29.5 t -67.63 -43.49 80.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.72 -63.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 8.9 mmm -60.87 -45.67 93.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.4 t -107.44 88.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -87.48 -9.9 53.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.3 m -99.1 -176.61 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 74.4 p -127.18 -30.99 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.67 45.18 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 27.7 m -103.48 -176.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.4 m -124.95 134.32 52.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.453 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.6 t-105 -42.93 -54.15 4.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 78.3 p -50.65 -59.53 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -43.56 -54.34 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 924' ' ' THR . 74.4 m -52.53 -63.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.453 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 10.3 ttt-85 -39.56 -48.76 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -62.22 -34.01 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 924' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 921' ' ' THR . 39.5 m -71.6 -47.08 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 928' ' ' ASP . 21.2 mt -67.57 -48.94 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 925' ' ' LEU . 24.4 mtp180 -34.53 -56.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.47 -39.58 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.4 t70 -44.61 160.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -86.05 -55.87 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -48.01 -32.73 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -44.27 -30.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.57 -55.62 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 p -59.18 -40.56 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.57 -14.17 3.41 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.3 m -49.14 -46.98 45.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.831 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 40.8 mt -38.49 -52.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.36 177.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 939' ' ' ARG . 21.9 pt-20 -133.21 155.72 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 938' ' ' GLU . 11.7 ptm180 -35.19 -41.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.6 -55.61 32.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.03 -45.56 91.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -55.44 -50.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.55 -60.41 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -50.79 -59.75 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 21.1 mt -43.7 -47.62 7.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.505 ' CE1' HD12 ' A' ' 950' ' ' ILE . 54.1 t80 -54.81 -56.64 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.03 -48.0 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.59 -55.11 32.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -46.35 -60.7 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . 0.505 HD12 ' CE1' ' A' ' 946' ' ' PHE . 16.7 mm -46.44 -54.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -53.66 -39.17 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.95 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 60.5 mt -53.15 -55.51 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 954' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 955' ' ' LYS . 26.2 p -50.92 -63.77 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 954' ' ' THR . 13.2 tmtt? -34.8 -60.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 957' ' ' LYS . 24.7 mmtt -51.93 -45.88 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 956' ' ' LYS . 16.3 tttp -36.78 -45.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -57.1 11.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -109.56 97.01 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 35.7 m -76.07 158.45 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -134.85 -168.16 11.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 116.95 4.79 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 23.7 m -104.39 138.3 41.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 26.4 p -111.75 116.42 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.443 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 61.2 m -109.95 145.16 37.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.0 m -115.75 149.04 39.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 885' ' ' SER . . . 136.7 56.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.432 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 885' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 884' ' ' GLY . 12.7 t -34.73 145.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.84 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 66.4 m 50.73 36.11 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -84.11 169.72 46.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -78.45 -46.99 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -51.63 -41.13 61.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 893' ' ' GLN . 56.3 mt-10 -74.56 -62.13 1.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 890' ' ' GLU . 23.4 mmm-85 -35.96 -45.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.15 -43.57 81.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 890' ' ' GLU . 19.9 tt0 -105.21 42.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 895' ' ' LYS . 5.1 p-80 -93.27 -50.78 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . 0.579 ' N ' ' CG ' ' A' ' 894' ' ' HIS . 9.0 mmmm -38.36 -40.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 28.6 ttm-85 -74.98 -42.75 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 894' ' ' HIS . 8.9 mm-40 -47.56 -61.54 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -48.71 -41.78 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 98.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 76.3 mt -55.74 -59.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -56.71 -56.33 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -52.02 -41.8 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -56.56 -56.16 24.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.15 -55.21 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.23 -41.03 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.6 -37.34 86.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.83 -36.6 83.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 10.2 t -81.87 -29.7 32.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.9 -39.65 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 35.9 mmm -96.44 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 11.8 t -84.53 73.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -84.77 -7.51 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 33.2 t -82.74 159.21 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 62.2 p -117.3 6.63 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -115.25 45.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.17 172.25 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 t -122.14 158.18 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 919' ' ' SER . 27.9 t-105 -41.4 -59.98 1.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 919' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 918' ' ' TRP . 6.7 m -35.64 -69.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.34 -47.79 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 922' ' ' ARG . 23.4 m -58.85 -66.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 921' ' ' THR . 63.9 ttt180 -35.22 -51.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 923' ' ' ARG . 14.1 mtp-105 -63.86 -61.65 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 94.9 m -39.5 -42.13 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 928' ' ' ASP . 19.3 mt -74.31 -44.92 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -43.11 -30.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -80.93 -32.94 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 8.5 t70 -60.09 165.9 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . 0.43 ' N ' ' CG ' ' A' ' 928' ' ' ASP . 2.6 t-80 -88.16 -49.66 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -31.23 37.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -41.94 -31.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.71 -49.92 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 93.3 p -65.56 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -59.04 -14.46 24.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.2 m -52.02 -42.95 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 27.5 mt -41.98 -40.99 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.4 mt -77.54 118.53 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -60.18 155.52 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -44.32 -36.79 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -66.34 -41.6 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -71.32 -35.46 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -65.62 -52.6 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.82 -54.48 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -56.77 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 34.4 mt -49.45 -53.3 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.441 ' CE1' ' OG1' ' A' ' 921' ' ' THR . 32.5 t80 -50.73 -55.7 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -46.99 -44.41 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.14 -54.54 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.416 ' NE2' HD13 ' A' ' 953' ' ' LEU . 61.8 t60 -44.25 -53.4 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.52 -54.85 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -17.15 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -88.25 -35.42 17.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . 0.416 HD13 ' NE2' ' A' ' 949' ' ' HIS . 19.4 mt -79.52 -9.47 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 19.8 p -88.18 -51.66 5.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -65.42 -31.15 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -30.04 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -43.8 133.55 4.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 71.0 mtm-85 -56.74 -49.6 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 960' ' ' SER . 8.8 tp10 -62.93 92.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 960' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 959' ' ' GLU . 5.2 m -35.53 143.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 170.11 64.05 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -39.6 6.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 14.4 m 43.92 42.43 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 4.6 m -64.62 121.43 14.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 72.5 m -155.51 120.99 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 37.4 t -145.6 120.26 9.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -174.83 129.74 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 26.2 m -101.73 163.69 12.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 30.5 t -135.07 152.23 51.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 45.58 -144.29 3.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.28 41.2 2.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -59.16 -59.2 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.14 -62.74 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -60.67 93.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -98.38 -50.01 4.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -115.09 43.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.424 ' CG ' ' N ' ' A' ' 895' ' ' LYS . 8.0 p-80 -76.2 -40.08 53.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 894' ' ' HIS . 19.6 mmtm -38.58 -36.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -88.23 -45.34 10.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -38.83 -63.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -41.05 -48.25 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -61.08 -46.87 88.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 88.9 mt -53.39 -65.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -51.18 -52.68 41.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -50.62 -40.88 54.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -60.83 -58.32 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -49.22 -51.28 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.9 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.44 -41.56 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.93 -48.85 77.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 26.1 t -68.42 -50.19 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.58 -60.52 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.1 mmm -72.98 -57.32 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . 0.424 HG23 ' CG2' ' A' ' 921' ' ' THR . 5.5 t -97.05 82.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -93.3 -11.52 32.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.3 t -79.45 174.05 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 68.6 p -117.95 -22.72 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -91.77 45.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 18.9 m -117.87 143.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 49.3 m -93.26 152.71 19.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.08 -37.81 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.0 m -67.16 -49.38 64.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.84 -43.37 63.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.424 ' CG2' HG23 ' A' ' 911' ' ' VAL . 91.6 m -69.76 -56.61 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 921' ' ' THR . 46.9 ttt180 -37.28 -55.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.51 -50.0 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 88.5 m -48.99 -42.02 36.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 928' ' ' ASP . 78.5 mt -75.33 -44.81 43.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 925' ' ' LEU . 52.0 mtp85 -37.02 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -65.28 -41.76 93.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 925' ' ' LEU . 36.1 t70 -54.14 169.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -97.19 -50.35 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 931' ' ' TRP . 24.6 mtt180 -42.01 -44.91 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.433 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.3 t-105 -34.92 -43.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -39.53 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 13.3 p -60.7 -39.16 87.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.3 -14.43 4.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.9 t -52.41 -44.41 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 26.8 mt -39.03 -47.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.23 179.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 939' ' ' ARG . 10.1 pt-20 -124.4 151.47 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 938' ' ' GLU . 15.3 ttm180 -35.45 -46.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.12 -56.15 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.45 -46.31 83.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -56.48 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -54.79 -51.93 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -51.15 -57.59 8.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 41.4 mt -46.3 -56.47 5.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -51.01 -62.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -43.68 -42.33 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.1 -47.5 82.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -51.85 -56.75 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 22.2 mm -53.8 -54.75 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -50.57 -29.32 10.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -75.12 -56.26 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 87.6 mt -49.54 -34.32 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 30.9 p -77.53 -61.13 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -42.48 -57.51 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -46.36 -55.57 7.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -52.02 109.32 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -136.71 116.07 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.43 89.98 3.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 96.2 p -166.35 148.96 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -109.19 161.72 13.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.555 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.33 5.62 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 74.1 m -47.7 -53.28 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 55.9 p 39.41 42.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 47.5 t -78.67 104.29 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 2.9 m -81.56 127.69 33.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -149.21 -177.56 23.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 74.3 m -146.47 111.71 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 3.2 m -38.93 -60.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -65.43 -136.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -122.2 113.09 18.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 -46.01 4.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -80.18 -47.58 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -50.08 -53.88 24.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -49.41 -37.01 23.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -107.4 37.72 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 898' ' ' GLU . 2.4 t-80 -93.05 39.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -79.59 -55.64 4.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -89.78 -43.92 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.07 -49.09 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . 0.414 ' HB3' ' ND1' ' A' ' 894' ' ' HIS . 3.0 pp20? -51.79 -43.46 63.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.77 98.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.77 -55.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -62.92 -40.33 97.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -64.11 -63.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -47.4 -55.2 9.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.84 -63.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -46.73 -38.03 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' A' ' 910' ' ' MET . 18.9 tp -69.53 -29.91 67.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 81.0 mt -70.31 -42.03 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.544 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 48.0 t -74.81 -29.04 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.32 -41.87 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 910' ' ' MET . . . . . 0.413 ' CG ' HD12 ' A' ' 906' ' ' LEU . 76.9 mmm -84.47 -41.92 16.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 921' ' ' THR . 4.6 t -100.55 79.91 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -77.71 -14.76 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -99.71 176.53 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 95.1 p -125.89 -26.98 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.87 44.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 14.1 m -114.2 179.02 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.4 t -115.76 154.2 30.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.435 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 11.4 t-105 -55.4 -47.51 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 80.8 p -56.6 -57.9 10.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -53.02 5.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.456 ' CG2' HG22 ' A' ' 911' ' ' VAL . 86.7 m -63.09 -57.0 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.435 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 12.0 ttt180 -38.79 -61.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -56.49 -40.7 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 90.2 m -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 928' ' ' ASP . 15.0 mt -66.5 -51.22 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -38.14 -44.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -42.69 99.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 12.4 t70 -51.33 167.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 10.3 t-160 -86.38 -52.78 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 1.9 mpt_? -44.23 -40.36 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 930' ' ' ARG . 21.5 t-105 -37.53 -41.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -43.12 -50.33 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 7.4 m -71.84 -28.84 63.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.72 -12.82 29.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 29.8 m -48.2 -45.17 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 935' ' ' SER . 25.2 mt -37.35 -50.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.83 125.91 28.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.6 pt-20 -76.36 149.54 36.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 73.6 mtm180 -35.79 -49.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.67 -48.34 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.03 -40.42 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -60.45 -54.16 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.96 -49.99 62.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.16 -51.32 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.4 mt -56.63 -55.89 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -47.56 -55.25 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -49.22 -50.79 36.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.38 -45.3 88.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 13.5 t60 -52.41 -56.52 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 40.2 mm -51.76 -51.62 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -42.1 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 70.4 mt -44.79 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 70.9 p -53.16 -49.93 65.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -48.39 -45.15 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -59.32 -48.03 83.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -49.04 138.32 11.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -85.61 -55.21 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -43.9 118.41 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 8.4 t -139.16 158.01 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 149.94 83.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.84 3.03 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 4.6 m -42.28 102.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 7.5 t -57.94 -42.57 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.1 t -88.4 87.03 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 13.3 t -136.35 110.47 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 49.08 64.28 3.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 80.0 p -142.2 156.02 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 13.8 m -75.7 -55.77 5.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 103.96 63.95 0.68 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -83.97 90.1 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -44.56 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -119.83 19.6 12.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 52.1 mmt-85 -105.46 40.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -96.14 -55.99 2.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -102.43 41.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -103.76 39.88 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -77.86 -49.98 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -87.39 -39.43 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -41.66 -51.2 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 902' ' ' ASN . 7.9 pt-20 -50.66 -42.77 56.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -63.77 -50.86 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 65.6 mt -51.53 -69.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -50.05 -49.45 51.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 898' ' ' GLU . 94.0 m-20 -53.09 -44.3 67.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 942' ' ' LYS . 23.1 t80 -56.92 -52.84 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -50.05 -60.83 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.63 -30.02 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.53 -45.82 64.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 35.4 t -66.14 -50.47 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -59.23 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 98.0 mmm -62.07 -44.47 96.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 6.6 t -106.2 90.23 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -89.1 -2.13 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 47.2 m -106.25 172.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 17.2 p -123.25 -11.89 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.86 48.64 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . 0.418 ' CG2' HD13 ' A' ' 950' ' ' ILE . 19.6 m -112.43 -177.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.5 m -119.78 140.03 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.415 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 13.0 t-105 -44.6 -67.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 919' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 920' ' ' ASP . 82.1 p -41.65 -59.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 919' ' ' SER . 1.1 m-20 -37.72 -63.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 3.5 m -59.39 -38.21 79.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -48.11 -50.76 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -69.86 -45.89 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 55.5 m -46.77 -45.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.78 -36.13 57.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -49.72 -41.88 44.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -73.89 -27.45 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.11 160.89 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.05 -52.99 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.5 mtt85 -42.54 -49.97 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 934' ' ' GLY . 7.7 t-105 -36.82 -43.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -38.99 -61.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 4.4 m -66.55 -21.98 66.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -68.71 -10.09 60.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 5.3 m -45.75 -40.03 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.876 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 935' ' ' SER . 39.7 mt -37.38 -49.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.53 152.8 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.2 pt-20 -106.96 151.69 24.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 938' ' ' GLU . 16.2 ptt180 -34.91 -45.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.99 -53.79 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.54 -54.43 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 903' ' ' PHE . 31.7 mttm -46.8 -56.66 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.94 -53.23 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -45.54 -47.29 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 946' ' ' PHE . 26.5 mt -62.37 -66.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 945' ' ' LEU . 43.2 t80 -36.98 -33.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 945' ' ' LEU . 23.1 m-20 -70.63 -56.76 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 5.7 pt-20 -53.7 -47.26 70.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 14.2 t60 -56.92 -64.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . 0.418 HD13 ' CG2' ' A' ' 916' ' ' VAL . 16.4 mm -41.9 -56.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 5.1 pt-20 -62.01 -31.83 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -66.69 -24.42 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.31 -41.55 56.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 954' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 955' ' ' LYS . 1.1 p -65.36 -65.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 954' ' ' THR . 10.9 ttpp -34.67 -46.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -56.24 -55.71 29.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -52.33 156.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -102.25 123.11 45.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -93.51 115.95 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 6.3 t -53.63 145.64 14.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 117.85 -94.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.431 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 80.1 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 1.3 t -106.65 53.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 60.4 p -48.86 176.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 68.8 m -100.88 107.08 18.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.815 0.34 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 23.9 m -88.46 148.78 24.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 150.31 -126.52 2.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 8.1 t -60.99 123.59 18.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 55.4 m -133.39 135.48 44.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -129.52 -87.66 0.5 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -96.63 48.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -102.38 -48.56 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . 0.463 ' HG2' ' CE1' ' A' ' 894' ' ' HIS . 11.3 tt0 -59.02 -17.56 26.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -79.2 -15.53 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -71.07 -29.2 65.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -114.59 34.89 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . 0.463 ' CE1' ' HG2' ' A' ' 890' ' ' GLU . 6.9 m170 -120.56 -38.61 2.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -52.89 -43.55 66.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -71.52 -47.4 55.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -44.18 -48.97 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.53 -46.01 57.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.06 83.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.39 -66.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -45.88 -52.13 11.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -56.2 -36.55 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . 0.516 ' CD2' HD12 ' A' ' 907' ' ' LEU . 13.5 t80 -68.18 -46.8 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -52.27 -56.12 16.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.95 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.1 tp -58.88 -36.54 74.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . 0.516 HD12 ' CD2' ' A' ' 903' ' ' PHE . 67.0 mt -64.13 -45.46 88.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 42.5 t -70.66 -53.36 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.56 -47.43 70.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 98.5 mmm -75.69 -40.6 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.76 78.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.56 -18.18 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 913' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 953' ' ' LEU . 63.5 m -94.03 178.01 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 90.1 p -125.75 -35.65 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -80.85 46.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 30.7 m -103.66 -176.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 19.3 m -113.34 144.39 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.513 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 6.9 t-105 -57.82 -54.47 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 70.8 m -50.08 -52.21 36.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -50.58 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 56.9 m -57.75 -59.4 5.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . 0.513 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 51.3 ttt180 -39.77 -50.85 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -69.47 -35.19 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 41.2 m -65.44 -31.08 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.42 -30.08 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.95 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -42.21 15.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 7.6 t70 -51.36 164.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . 0.495 ' CD2' ' HD2' ' A' ' 930' ' ' ARG . 1.4 p-80 -87.69 -43.73 11.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.495 ' HD2' ' CD2' ' A' ' 929' ' ' HIS . 1.1 mpt_? -42.64 -45.83 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.507 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -45.41 -40.37 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 931' ' ' TRP . 28.5 mm-40 -35.6 -53.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 3.1 m -72.89 -32.74 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -57.05 -11.81 6.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 30.0 m -45.29 -43.55 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 39.0 mt -39.26 -43.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 23.8 mt -72.81 157.64 37.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.41 163.59 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -43.5 -32.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . 0.458 ' N ' ' HD2' ' A' ' 939' ' ' ARG . 6.7 tt0 -69.31 -46.95 65.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.34 -45.22 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.507 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 52.1 mttt -61.44 -51.51 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -57.55 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -58.35 -54.83 42.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 25.1 mt -47.75 -47.08 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -56.78 -67.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -38.93 -45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -61.66 -52.68 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 24.4 t60 -49.84 -56.13 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 10.9 mm -50.7 -59.6 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -46.5 -36.44 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.9 -49.4 68.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 913' ' ' SER . 60.1 mt -45.74 -56.12 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 954' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 955' ' ' LYS . 45.4 p -64.05 -59.03 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 954' ' ' THR . 23.2 tttm -34.49 -51.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -60.95 -51.55 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 958' ' ' ARG . 15.2 tttm -43.7 105.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 957' ' ' LYS . 2.1 mpt_? -37.54 144.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -123.59 102.69 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 4.3 m -48.23 -52.63 20.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 178.28 153.86 11.86 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 140.54 42.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 22.7 t -84.21 103.75 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 65.2 p -85.49 133.52 34.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 68.3 p -88.2 144.49 26.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 10.8 m -59.37 104.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 138.34 58.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 53.8 p -52.26 177.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 42.9 m -116.32 -43.75 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 145.98 -58.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -96.48 41.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.327 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -83.37 -45.94 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -66.19 -47.84 72.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -86.37 83.75 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -90.89 -58.37 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -99.41 40.8 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -106.16 41.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -65.7 -54.32 28.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 897' ' ' GLU . 13.7 ttp-105 -87.26 -44.19 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 896' ' ' ARG . 28.7 mp0 -37.54 -56.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -46.64 -48.53 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.68 98.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.29 -60.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -56.88 -50.65 71.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.89 -42.71 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -59.06 -48.58 81.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -53.71 -56.32 18.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.74 82.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.31 -31.96 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 56.4 mt -70.2 -47.01 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 73.5 m -63.63 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.09 -65.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.0 mmm -60.55 -37.14 80.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . 0.411 ' CG2' ' CG2' ' A' ' 921' ' ' THR . 16.4 t -122.73 78.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -89.43 -18.79 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 25.6 t -73.98 160.06 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 90.0 p -112.24 -6.59 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -102.79 46.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.33 141.72 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 50.6 m -94.02 168.3 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 919' ' ' SER . 24.6 t-105 -52.42 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 919' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 918' ' ' TRP . 16.2 m -34.57 -51.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -61.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 921' ' ' THR . . . . . 0.411 ' CG2' ' CG2' ' A' ' 911' ' ' VAL . 79.1 m -57.78 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.23 -56.51 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -61.26 -37.59 83.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 39.3 m -56.21 -55.33 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -41.97 -33.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . 0.4 ' CE ' ' HA ' ' A' ' 927' ' ' LYS . 3.0 mmpt? -79.95 -44.26 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 19.8 t0 -52.57 149.32 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . 0.436 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 2.1 m-70 -72.03 -40.79 68.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 931' ' ' TRP . 9.7 mpt_? -53.45 -48.87 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 930' ' ' ARG . 14.0 t-105 -36.67 -37.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -46.28 -61.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 m -57.7 -38.84 75.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.76 -14.31 5.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -43.77 -36.28 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 48.5 mt -41.86 -46.46 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.63 163.69 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.29 155.05 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -42.3 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . 0.444 ' N ' ' HG2' ' A' ' 939' ' ' ARG . 25.9 tt0 -74.49 -49.01 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -64.94 -35.55 81.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.09 -53.91 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 943' ' ' GLU . 1.2 tm-20 -54.22 -41.75 69.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.44 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 23.1 mt -47.34 -42.9 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.24 -53.86 53.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.62 -56.02 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -46.43 -44.91 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 31.7 t60 -57.61 -55.7 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.89 -63.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.5 -30.93 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.19 77.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 22.8 mt -67.07 -44.9 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 44.0 p -60.04 -29.86 68.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -80.88 -64.67 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.17 -42.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -64.06 102.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 146.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -111.71 -61.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 1.3 t -159.29 120.81 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 142.4 146.21 4.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 96.04 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.377 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 54.1 p 43.1 43.02 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 3.4 t -84.21 -58.12 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 28.1 m -114.87 154.22 29.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 68.7 m -119.96 141.27 49.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -142.53 147.94 19.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 41.0 t -137.96 145.45 42.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 84.1 p -82.0 145.95 29.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 166.48 -47.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -118.96 41.16 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -100.83 -58.17 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -73.45 -50.1 23.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -49.85 -48.73 50.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.75 -44.75 96.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -96.92 39.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -108.41 -54.52 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -38.05 -45.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -68.56 -49.4 59.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.36 -50.72 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.71 90.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 86.4 mt -58.7 -56.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.89 -47.72 79.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -54.66 -43.36 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.66 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -48.09 -59.16 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.19 65.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.37 -36.26 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 47.0 mt -61.13 -49.96 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 908' ' ' SER . . . . . 0.412 ' HA ' ' NE2' ' A' ' 949' ' ' HIS . 28.4 t -63.03 -50.77 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.3 -61.89 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 910' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' A' ' 925' ' ' LEU . 14.9 mmm -61.98 -31.92 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 4.2 t -127.12 89.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -95.41 -7.1 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 43.2 t -86.2 163.08 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 87.8 p -118.46 -1.6 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -116.07 48.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 6.5 m -123.57 157.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.7 t -100.41 147.81 25.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -47.11 -48.12 23.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.3 m -43.86 -57.17 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.61 -47.33 79.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 95.8 m -54.89 -45.57 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -60.81 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -27.61 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 52.7 m -70.93 -61.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 928' ' ' ASP . 40.5 mt -61.17 -47.42 86.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 925' ' ' LEU . 28.3 mtp85 -35.74 -49.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -58.94 -42.43 89.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.6 t0 -58.89 145.18 42.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -66.88 -44.1 81.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 5.7 mmt-85 -45.37 -53.14 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.41 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 20.7 t-105 -37.39 -42.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -42.98 -49.94 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 16.0 m -67.95 -37.07 81.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.12 -14.45 11.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 935' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' LEU . 39.5 t -42.2 -40.96 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 935' ' ' SER . 35.9 mt -37.38 -49.97 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.19 147.46 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.9 pt-20 -93.5 146.77 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.0 OUTLIER -34.99 -47.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.69 -52.74 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.03 -44.62 96.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . 0.41 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 60.7 mttm -57.56 -53.86 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.65 -45.87 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -54.84 -50.4 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 37.3 mt -55.64 -52.22 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -53.66 -57.79 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -48.36 -41.51 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.68 -42.84 73.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . 0.412 ' NE2' ' HA ' ' A' ' 908' ' ' SER . 47.9 t60 -55.74 -43.28 76.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 51.4 mm -66.99 -49.02 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -31.19 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -72.39 -53.46 12.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 45.0 mt -38.94 -50.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 82.2 p -65.55 -45.0 85.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -55.64 -54.29 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -59.55 -51.48 69.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -56.33 161.36 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -66.4 118.11 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.64 133.67 55.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 3.3 m 47.84 33.12 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -86.54 -93.66 0.88 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -179.04 2.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.317 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 91.0 p -166.47 178.52 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 71.8 m -136.91 165.95 24.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.51 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 59.4 p -127.39 95.5 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 67.1 p -109.16 87.11 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -165.8 175.52 41.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.425 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 68.2 m -112.23 122.83 48.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 74.1 m -38.78 -59.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -85.65 -167.27 43.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 888' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 888' ' ' ASP . 6.9 p-10 -107.46 99.39 8.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -96.5 -45.23 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 890' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 891' ' ' ARG . 14.0 tt0 -88.47 -57.42 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 890' ' ' GLU . 37.8 mmt-85 -35.6 -40.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.19 -48.89 44.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -104.03 40.76 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -100.69 -25.06 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -49.32 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -67.95 -40.31 83.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.18 -33.63 53.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.32 -50.22 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 899' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 936' ' ' LEU . . . -58.35 -40.37 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.43 -65.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.01 -44.66 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -56.99 -53.12 61.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -54.02 -48.12 70.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.26 90.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.04 -31.69 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.07 -56.3 7.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.8 t -62.58 -21.42 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.75 -65.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.1 mmm -71.03 -47.16 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 59.2 t -98.98 62.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -74.7 -12.6 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 68.9 p -84.46 164.9 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 92.0 p -122.26 9.14 9.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.43 39.59 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.21 154.14 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.6 t -98.37 148.69 23.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -47.58 -45.68 27.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 26.7 p -51.34 -56.46 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -52.86 -39.17 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 20.3 m -67.56 -46.85 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -55.93 -36.38 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -82.58 -30.58 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 5.9 m -67.62 -46.52 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 925' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 928' ' ' ASP . 43.7 mt -70.43 -42.42 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -39.59 -50.58 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -30.14 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 928' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -60.79 168.54 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -46.0 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 930' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.4 mpt_? -50.01 -44.72 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 931' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 930' ' ' ARG . 31.5 t-105 -37.39 -41.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -46.62 -57.01 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.5 m -59.29 -39.02 81.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.85 -14.0 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.4 m -43.44 -45.0 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 936' ' ' LEU . . . . . 0.411 HD13 ' CB ' ' A' ' 899' ' ' ALA . 21.7 mt -39.75 -56.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.1 mt -60.24 163.14 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.37 159.7 15.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -46.28 -45.83 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.32 -57.85 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -50.76 -51.82 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -54.1 -55.13 30.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.84 -52.51 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -52.37 -52.78 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.03 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -39.46 -60.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -45.57 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.37 -46.24 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -52.4 -52.13 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 950' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 953' ' ' LEU . 36.2 mm -58.33 -63.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 951' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 950' ' ' ILE . 75.5 mm-40 -38.32 -45.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.6 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 953' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 950' ' ' ILE . 75.6 mt -56.95 -55.31 36.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 29.4 p -65.42 -43.36 90.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 955' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 959' ' ' GLU . 0.5 OUTLIER -57.04 -38.16 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -7.77 58.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -99.48 -66.56 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -46.01 -27.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 955' ' ' LYS . 0.4 OUTLIER -101.32 118.21 36.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 74.3 p -69.52 -54.0 16.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -148.73 146.13 15.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.15 8.82 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 1.5 p -133.82 55.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 39.1 t -154.88 146.55 23.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.504 ' HA ' HD13 ' A' ' 936' ' ' LEU . 58.9 ttp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.75 0.31 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 48.3 mm-40 -36.23 -52.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -48.83 -46.3 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.86 -43.72 94.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.9 mt -55.26 -64.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.78 -46.25 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.41 -40.85 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -59.94 -52.8 63.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 904' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 907' ' ' LEU . 0.3 OUTLIER -53.93 -54.11 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.4 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.14 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 904' ' ' LYS . 75.1 mt -67.76 -43.04 80.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.496 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 46.5 t -68.39 -45.38 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.96 -58.66 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 74.4 mmm -67.99 -56.42 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 7.6 t -100.48 73.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -75.52 -21.27 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 4.8 m -86.17 170.08 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 914' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 950' ' ' ILE . 86.1 p -126.85 5.42 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.33 34.55 2.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.54 167.14 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.0 t -109.73 154.79 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 943' ' ' GLU . 37.3 t-105 -50.51 -61.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 919' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 918' ' ' TRP . 5.4 m -34.99 -69.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.56 -51.45 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 922' ' ' ARG . 21.0 m -53.21 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 921' ' ' THR . 20.8 ttt180 -38.32 -55.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.74 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 78.8 m -62.95 -47.92 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.8 -36.84 84.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -53.65 -25.51 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -84.69 -33.06 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.81 163.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -82.47 -57.43 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -46.75 -41.75 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -39.41 -42.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -56.17 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 15.2 m -67.79 -26.21 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.63 48.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 935' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 936' ' ' LEU . 45.1 t -41.78 -43.77 3.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 899' ' ' ALA . 35.8 mt -34.66 -55.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.61 118.78 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.8 pt-20 -62.84 153.24 33.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.4 OUTLIER -37.98 -50.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.52 -52.58 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 945' ' ' LEU . 5.4 tm-20 -53.04 -52.27 59.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -56.52 -54.79 41.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 943' ' ' GLU . . . . . 0.486 ' HG3' ' CD2' ' A' ' 918' ' ' TRP . 26.4 tt0 -50.05 -47.29 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -57.49 -49.97 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.477 HD12 ' OE1' ' A' ' 941' ' ' GLU . 43.4 mt -52.09 -60.17 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 950' ' ' ILE . 21.2 t80 -46.68 -61.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -44.86 -50.83 10.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.55 -41.06 80.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.524 ' NE2' HD11 ' A' ' 953' ' ' LEU . 55.3 t60 -61.12 -39.82 91.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.521 HD11 ' CE1' ' A' ' 946' ' ' PHE . 14.8 mm -65.22 -62.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -47.1 -40.56 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.81 87.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.524 HD11 ' NE2' ' A' ' 949' ' ' HIS . 55.2 mt -53.48 -58.65 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 63.3 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 897' ' ' GLU . 73.7 ttt180 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 897' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 896' ' ' ARG . 5.4 mm-40 -36.98 -49.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.67 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -50.09 -51.51 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.14 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -48.72 -55.7 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -52.43 -39.22 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.657 ' CD2' HD13 ' A' ' 945' ' ' LEU . 17.4 t80 -57.37 -66.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 904' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 907' ' ' LEU . 22.8 mttm -46.56 -55.04 8.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.47 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.58 -33.23 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 904' ' ' LYS . 34.0 mt -71.43 -32.78 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.9 t -81.87 -26.8 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -77.81 -36.17 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.0 mmm -98.37 -67.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.653 HG11 ' HE1' ' A' ' 946' ' ' PHE . 3.3 t -80.17 58.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 912' ' ' ARG . . . . . 0.65 ' O ' HD13 ' A' ' 953' ' ' LEU . 9.4 ttt180 -66.46 -27.54 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.0 m -80.98 172.69 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 6.4 p -125.82 0.09 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.51 26.83 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.523 HG21 ' CG1' ' A' ' 911' ' ' VAL . 18.2 m -109.48 168.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.3 t -115.29 152.41 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.522 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 19.4 t-105 -44.97 -68.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 55.7 p -38.27 -66.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -42.6 -49.93 5.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.419 HG23 HG21 ' A' ' 911' ' ' VAL . 35.0 m -55.57 -60.7 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.494 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 39.9 ttt180 -41.17 -49.61 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -64.91 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 89.0 m -64.46 -54.86 25.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 928' ' ' ASP . 18.4 mt -59.76 -50.53 73.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 925' ' ' LEU . 49.8 mtp180 -35.12 -56.14 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -47.65 -42.31 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -51.28 165.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 929' ' ' HIS . . . . . 0.406 ' CE1' ' OE2' ' A' ' 932' ' ' GLU . 1.8 t60 -92.0 -50.0 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 4.9 mmt180 -45.29 -46.53 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.0 t-105 -37.38 -39.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 932' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 929' ' ' HIS . 27.0 mt-10 -42.61 -50.42 5.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.5 m -68.64 -32.85 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.84 -13.25 6.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 935' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 936' ' ' LEU . 19.3 t -46.64 -44.15 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.873 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 899' ' ' ALA . 33.3 mt -35.44 -59.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.68 174.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.84 157.16 27.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -39.93 -45.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.4 -52.08 65.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -59.97 -51.35 70.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.3 -53.57 41.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -57.15 13.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.657 HD13 ' CD2' ' A' ' 903' ' ' PHE . 36.6 mt -47.39 -51.89 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.729 ' CE1' HD11 ' A' ' 950' ' ' ILE . 19.0 t80 -56.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -42.74 -47.97 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.8 -48.34 72.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.402 ' NE2' HD11 ' A' ' 953' ' ' LEU . 80.0 t60 -57.93 -47.7 82.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.729 HD11 ' CE1' ' A' ' 946' ' ' PHE . 45.2 mm -52.88 -60.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 951' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 7.6 pt-20 -57.34 -38.72 74.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 952' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -58.51 -39.13 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 912' ' ' ARG . 67.5 mt -63.42 -55.67 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 897' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 900' ' ' ILE . 17.1 mm-40 -40.96 -52.3 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.87 -43.35 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 897' ' ' GLU . 84.1 mt -55.82 -60.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.68 -51.9 67.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -53.35 -43.69 67.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.499 ' HD2' HD13 ' A' ' 945' ' ' LEU . 17.8 t80 -56.19 -54.92 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 904' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 907' ' ' LEU . 28.0 mttm -49.04 -55.47 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.4 -43.9 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.01 -41.19 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 904' ' ' LYS . 38.0 mt -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 43.2 t -78.58 -25.18 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.08 -38.78 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 41.5 mmm -98.61 -54.4 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.676 ' CG1' HG21 ' A' ' 916' ' ' VAL . 3.4 t -89.99 64.33 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -69.08 -6.33 27.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 26.3 m -102.12 175.31 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.9 p -121.2 -20.21 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -87.93 46.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.676 HG21 ' CG1' ' A' ' 911' ' ' VAL . 34.5 m -112.75 -176.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.5 t -120.73 156.69 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.551 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 13.1 t-105 -62.9 -44.68 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.2 m -63.72 -53.41 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.06 -47.51 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.502 ' CG2' HG21 ' A' ' 911' ' ' VAL . 61.7 m -64.48 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.551 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 56.6 ttt180 -34.87 -60.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 -58.28 -42.85 87.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 98.0 m -54.64 -26.58 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 17.9 mt -94.26 -33.63 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -48.69 -41.33 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -72.54 -29.69 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.64 170.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -93.83 -47.79 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 -33.32 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -39.94 -37.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -55.81 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.3 p -55.02 -39.29 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.0 6.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.5 t -51.37 -51.55 53.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 29.2 mt -42.95 -38.31 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.37 115.12 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 941' ' ' GLU . 15.5 pt-20 -64.59 154.53 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -54.35 -43.72 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 945' ' ' LEU . 12.1 mm-40 -69.65 -36.1 75.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -66.43 -49.0 68.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.11 -57.36 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -61.05 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.499 HD13 ' HD2' ' A' ' 903' ' ' PHE . 32.1 mt -43.57 -48.87 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 950' ' ' ILE . 43.6 t80 -53.34 -55.47 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -52.36 -47.44 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -50.75 -48.0 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.541 ' NE2' HD11 ' A' ' 953' ' ' LEU . 53.5 t60 -58.65 -63.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 946' ' ' PHE . 25.2 mm -37.33 -47.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.44 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.541 HD11 ' NE2' ' A' ' 949' ' ' HIS . 87.3 mt -56.78 -55.38 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.578 ' HA ' HD13 ' A' ' 936' ' ' LEU . 23.9 ttm180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -39.58 -59.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 898' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 899' ' ' ALA . 11.8 pt-20 -41.3 -51.68 3.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -54.13 -50.7 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 95.3 mt -52.89 -65.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -50.42 -53.53 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -55.27 -37.56 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.638 ' CD2' HD13 ' A' ' 945' ' ' LEU . 33.3 t80 -58.35 -49.17 78.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -60.05 -47.77 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.2 84.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.63 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 911' ' ' VAL . 81.8 mt -65.78 -47.9 73.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 30.0 t -61.42 -47.36 86.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.02 -65.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 71.9 mmm -64.37 -55.67 19.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.533 HG21 HG23 ' A' ' 921' ' ' THR . 15.5 t -102.24 69.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.1 ttp-105 -75.45 -26.04 57.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -83.02 163.22 21.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 914' ' ' SER . . . . . 0.492 ' HA ' HD12 ' A' ' 950' ' ' ILE . 5.3 p -120.61 19.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.08 33.08 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.1 173.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.1 t -111.18 158.83 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.442 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.9 t-105 -53.73 -56.0 21.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 5.2 t -48.57 -67.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 58.2 m-20 -38.8 -51.19 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.533 HG23 HG21 ' A' ' 911' ' ' VAL . 97.9 m -58.87 -45.48 90.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.442 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 7.0 ttt-85 -53.59 -46.06 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 923' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 26.9 ptt180 -73.15 -24.68 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.8 m -75.12 -41.9 57.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.06 -37.6 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -49.35 -47.42 47.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -65.37 -30.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -58.0 159.27 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.81 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -79.56 -58.83 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.9 mtt180 -42.27 -42.39 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.54 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 6.6 t-105 -34.5 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 8.9 t -59.74 -43.95 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.0 -14.7 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 85.5 p -53.02 -39.32 63.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.742 HD12 ' HB2' ' A' ' 899' ' ' ALA . 24.7 mt -40.34 -42.24 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.24 175.1 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.7 pt-20 -121.15 148.12 44.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 938' ' ' GLU . 10.1 ptt180 -35.01 -44.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.41 -61.0 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.91 -46.52 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.54 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 20.5 mtpp -56.11 -61.48 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.89 -47.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -59.06 -50.02 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.638 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -52.04 -60.09 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.459 ' CZ ' HG13 ' A' ' 950' ' ' ILE . 21.7 t80 -49.87 -59.45 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -46.65 -44.4 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.34 -52.03 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.593 ' NE2' HD11 ' A' ' 953' ' ' LEU . 71.7 t60 -53.36 -54.54 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 914' ' ' SER . 26.1 mm -54.75 -55.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.41 -39.27 60.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.49 -53.59 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.593 HD11 ' NE2' ' A' ' 949' ' ' HIS . 31.9 mt -47.17 -63.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' A' ' 936' ' ' LEU . 27.7 ttm180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -39.97 -43.92 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.3 -45.55 90.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.728 ' CB ' HD12 ' A' ' 936' ' ' LEU . . . -60.3 -44.08 95.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.65 -62.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -54.96 -45.33 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -58.93 -43.14 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -56.24 -50.84 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -54.42 -56.56 17.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.33 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.54 -36.62 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 911' ' ' VAL . 56.7 mt -61.84 -48.5 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 24.6 t -62.71 -49.93 73.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.05 -46.98 84.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 70.7 mmm -78.95 -21.77 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 907' ' ' LEU . 13.2 t -127.65 92.76 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -93.75 -2.57 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.8 m -102.62 179.08 4.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 99.7 p -128.27 -30.48 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.73 44.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.55 -175.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 23.4 m -118.31 142.18 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.53 -39.31 76.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 17.0 m -65.65 -43.45 89.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.85 -54.87 39.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 44.0 m -66.47 -50.6 62.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -42.12 -45.11 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -75.97 -45.14 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 58.0 m -49.92 -48.27 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 928' ' ' ASP . 24.1 mt -66.86 -48.54 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 931' ' ' TRP . 9.0 mtp-105 -43.96 -28.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.24 -33.58 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 925' ' ' LEU . 30.5 t0 -56.71 174.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -91.39 -46.84 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.62 -35.51 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 926' ' ' ARG . 9.8 t-105 -43.44 -34.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.83 -55.34 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.5 t -60.21 -29.65 68.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.75 -12.64 28.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.3 m -51.28 -43.01 61.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 899' ' ' ALA . 16.6 mt -40.53 -44.13 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.24 161.48 29.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 939' ' ' ARG . 14.6 pt-20 -111.42 155.92 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 48.0 mtm-85 -37.18 -43.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.89 -55.44 34.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.74 -44.55 90.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -56.38 -52.62 63.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.36 -56.18 25.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -44.38 -52.81 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 946' ' ' PHE . 40.1 mt -58.52 -66.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 945' ' ' LEU . 42.7 t80 -36.05 -35.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -68.87 -58.25 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 948' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 4.9 pt-20 -52.46 -46.77 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.551 ' O ' ' HB3' ' A' ' 952' ' ' ALA . 19.6 t60 -55.55 -64.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 19.9 mm -42.41 -63.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 951' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 6.3 pt-20 -52.48 -30.87 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 952' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -66.29 -35.39 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.88 -43.91 94.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 936' ' ' LEU . 8.4 ttm105 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -40.43 -48.71 2.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.33 -47.68 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.681 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -57.49 -43.36 84.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.427 HG22 ' HE3' ' A' ' 904' ' ' LYS . 92.6 mt -57.05 -66.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.75 -50.87 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -56.35 -37.72 70.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 907' ' ' LEU . 25.4 t80 -60.38 -46.99 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 904' ' ' LYS . . . . . 0.427 ' HE3' HG22 ' A' ' 900' ' ' ILE . 43.6 mttt -58.4 -50.37 73.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.27 93.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.84 -41.93 98.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 903' ' ' PHE . 66.4 mt -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 22.7 t -62.6 -45.45 92.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 -60.24 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 3.9 mmt -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.97 93.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -94.13 -7.58 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 23.6 m -97.59 -175.41 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 914' ' ' SER . . . . . 0.422 ' HA ' HG23 ' A' ' 950' ' ' ILE . 11.7 p -131.67 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -84.58 43.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.71 170.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 9.4 m -108.27 140.98 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -49.46 -48.96 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 15.4 t -47.97 -63.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -45.22 -51.66 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 922' ' ' ARG . 19.6 m -57.55 -65.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 921' ' ' THR . 11.4 ttt85 -36.75 -48.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -52.84 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.7 m -43.89 -36.52 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.461 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 16.7 mt -83.43 -45.0 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 925' ' ' LEU . 17.2 mtp85 -36.31 -52.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -64.68 -39.25 93.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 925' ' ' LEU . 22.9 t0 -51.89 140.5 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -64.69 -54.33 33.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 931' ' ' TRP . 63.1 mtt180 -42.62 -50.83 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.547 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -37.8 -44.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -41.15 -58.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 18.9 m -54.84 -36.92 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.43 -13.4 3.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 12.4 t -39.72 -44.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.681 HD12 ' HB2' ' A' ' 899' ' ' ALA . 16.9 mt -40.92 -43.99 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.57 174.18 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.65 165.28 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -49.31 -25.62 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.47 -47.28 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.517 ' O ' HD12 ' A' ' 945' ' ' LEU . 6.6 mm-40 -70.11 -34.45 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.547 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 45.5 mttm -70.55 -44.01 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -68.78 -51.04 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -58.66 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 941' ' ' GLU . 27.9 mt -50.94 -49.14 60.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.401 ' CD1' HG21 ' A' ' 921' ' ' THR . 38.8 t80 -53.14 -60.61 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -48.44 -44.94 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.17 -47.25 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.682 ' NE2' HD11 ' A' ' 953' ' ' LEU . 22.4 t60 -56.3 -46.13 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 914' ' ' SER . 27.0 mm -59.65 -41.66 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.04 -47.95 80.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.39 85.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.682 HD11 ' NE2' ' A' ' 949' ' ' HIS . 81.1 mt -51.17 -52.13 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.63 ' HA ' HD13 ' A' ' 936' ' ' LEU . 47.5 ttt85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.764 0.316 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.13 -45.02 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.31 -51.68 61.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.828 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -54.44 -49.39 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.3 -63.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -54.22 -49.78 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -59.84 -26.79 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.662 ' CE2' HD11 ' A' ' 907' ' ' LEU . 28.7 t80 -69.35 -66.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 904' ' ' LYS . . . . . 0.609 ' HD2' HD22 ' A' ' 945' ' ' LEU . 0.0 OUTLIER -46.5 -47.02 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.39 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.594 HD21 HD22 ' A' ' 925' ' ' LEU . 13.0 tp -62.72 -41.84 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.662 HD11 ' CE2' ' A' ' 903' ' ' PHE . 88.2 mt -59.84 -42.04 92.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 33.0 t -67.77 -34.21 76.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.03 -62.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 36.6 mmm -66.94 -48.44 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 1.022 HG21 HG23 ' A' ' 921' ' ' THR . 21.8 t -107.19 71.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 912' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 912' ' ' ARG . 6.4 tmm_? -82.69 -26.36 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 160.54 27.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 83.1 p -112.65 -8.81 13.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -104.39 46.85 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.528 HG21 HG13 ' A' ' 911' ' ' VAL . 3.5 m -123.76 147.46 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 20.3 p -92.62 159.52 15.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 17.6 t-105 -57.4 -54.87 41.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.1 t -41.2 -49.21 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.14 -61.34 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 921' ' ' THR . . . . . 1.022 HG23 HG21 ' A' ' 911' ' ' VAL . 89.1 m -42.16 -47.14 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -59.0 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -57.01 -15.25 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 66.4 m -87.04 -58.61 2.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.594 HD22 HD21 ' A' ' 906' ' ' LEU . 18.1 mt -63.75 -35.33 80.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -45.96 -60.09 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -59.79 -30.76 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.16 158.32 11.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -77.96 -55.11 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.2 mpt_? -38.38 -56.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.476 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 41.1 t-105 -34.56 -46.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -41.2 -59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.4 m -58.47 -39.98 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 934' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 935' ' ' SER . . . -55.41 -14.29 6.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 935' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 934' ' ' GLY . 3.6 m -36.99 -38.84 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.828 HD12 ' HB2' ' A' ' 899' ' ' ALA . 23.5 mt -42.03 -49.59 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.93 170.06 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -119.84 152.12 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 939' ' ' ARG . 3.6 tmm_? -39.92 -41.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.66 -55.06 37.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.476 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 67.3 mttt -59.11 -49.82 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -51.03 -59.15 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -54.09 -61.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.609 HD22 ' HD2' ' A' ' 904' ' ' LYS . 34.4 mt -38.8 -47.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 918' ' ' TRP . 19.5 t80 -59.89 -50.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.09 -49.25 74.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.46 -44.76 85.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.487 ' CE1' HD21 ' A' ' 953' ' ' LEU . 32.8 t60 -54.66 -55.65 27.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.666 ' HA ' HD12 ' A' ' 953' ' ' LEU . 16.5 mm -53.84 -67.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.1 -35.27 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.0 -51.06 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 950' ' ' ILE . 41.6 mt -38.81 -63.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.773 0.321 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -38.72 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.38 -43.46 23.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.686 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -62.44 -46.6 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.07 -63.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.29 -48.28 71.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.24 -51.26 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -50.42 -61.31 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 904' ' ' LYS . . . . . 0.431 ' HA ' HD12 ' A' ' 907' ' ' LEU . 6.5 mtmp? -44.87 -59.47 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -49.33 -40.65 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.506 ' CD2' HD22 ' A' ' 925' ' ' LEU . 20.9 tp -66.24 -44.17 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 925' ' ' LEU . 66.6 mt -55.71 -37.06 67.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 16.6 m -75.73 -38.99 58.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.14 -39.75 90.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.2 mmm -95.81 -52.86 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.971 HG21 HG23 ' A' ' 921' ' ' THR . 34.0 t -101.07 60.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -64.7 -27.99 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 175.85 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 93.9 p -124.27 -31.93 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.32 44.65 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.538 HG21 ' CG1' ' A' ' 911' ' ' VAL . 34.0 m -107.95 168.76 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 10.4 t -102.21 151.49 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.56 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 3.6 t-105 -54.42 -52.51 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 10.5 t -55.08 -57.81 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -43.79 -50.05 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.971 HG23 HG21 ' A' ' 911' ' ' VAL . 88.0 m -57.96 -52.83 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.56 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 34.4 ttt-85 -44.29 -62.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 923' ' ' ARG . . . . . 0.405 ' HB2' ' NH2' ' A' ' 926' ' ' ARG . 47.9 ttt180 -54.54 -51.63 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 56.0 m -43.03 -37.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 907' ' ' LEU . 26.1 mt -87.39 -41.25 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 923' ' ' ARG . 50.9 mtm180 -46.95 -52.95 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -35.0 78.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.61 168.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 929' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 930' ' ' ARG . 2.7 m-70 -87.4 -57.08 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 931' ' ' TRP . 7.4 mpt_? -37.17 -41.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.563 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 21.8 t-105 -34.58 -46.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 932' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 931' ' ' TRP . 15.4 mt-10 -35.04 -62.28 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.1 m -61.76 -40.89 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.56 -14.73 3.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.3 m -47.49 -41.89 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 899' ' ' ALA . 38.9 mt -41.94 -46.39 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.22 137.16 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 940' ' ' GLU . 9.9 pt-20 -87.25 150.22 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.0 OUTLIER -36.11 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 940' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 938' ' ' GLU . 1.9 tp10 -69.88 -49.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 938' ' ' GLU . 3.9 mm-40 -58.88 -35.26 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.563 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 40.2 mttp -67.85 -50.05 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.0 -47.22 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -67.63 -64.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.32 -49.92 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 921' ' ' THR . 31.2 t80 -56.57 -51.84 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.31 -51.75 56.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.58 -50.3 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.57 ' HE1' ' O ' ' A' ' 911' ' ' VAL . 8.1 t-80 -50.05 -51.69 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 953' ' ' LEU . 14.6 mm -56.08 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -44.36 -44.75 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.66 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 950' ' ' ILE . 72.1 mt -50.33 -61.65 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 35.5 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 896' ' ' ARG . 19.9 ttp-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.19 -56.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -48.58 43.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -56.49 -43.79 80.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 98.4 mt -57.65 -64.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -54.68 -47.55 73.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -56.4 -40.02 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 907' ' ' LEU . 31.0 t80 -59.86 -54.62 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 904' ' ' LYS . . . . . 0.419 ' CE ' HD22 ' A' ' 945' ' ' LEU . 0.4 OUTLIER -50.05 -50.48 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.08 74.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.52 -33.26 74.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 903' ' ' PHE . 43.7 mt -69.12 -42.89 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.412 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 27.0 t -74.57 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.51 -42.7 70.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 16.2 mmm -95.61 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.594 HG21 HG23 ' A' ' 921' ' ' THR . 2.7 t -83.13 55.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.37 -20.84 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 2.9 m -84.52 167.75 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.2 p -123.92 11.27 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -111.55 37.44 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 911' ' ' VAL . 11.0 m -116.33 175.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 16.6 m -112.99 152.88 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -53.81 -56.06 20.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 9.0 m -44.6 -63.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -49.18 -39.17 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.594 HG23 HG21 ' A' ' 911' ' ' VAL . 98.8 m -65.63 -44.87 85.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.08 -51.25 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -67.64 -24.82 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 8.6 m -69.74 -50.41 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.535 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 22.1 mt -75.38 -45.55 38.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 45.9 mtp85 -36.8 -53.32 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -35.62 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 34.0 t70 -53.0 156.49 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.22 -60.27 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 931' ' ' TRP . 35.1 mtt85 -42.11 -52.68 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 925' ' ' LEU . 14.8 t-105 -36.49 -43.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 932' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 931' ' ' TRP . 16.1 tt0 -36.18 -61.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 12.0 m -53.95 -38.9 65.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 934' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -52.9 -14.45 2.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -46.57 -31.69 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 899' ' ' ALA . 32.4 mt -48.16 -42.86 30.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 937' ' ' LEU . . . . . 0.939 HD22 ' OE1' ' A' ' 941' ' ' GLU . 14.7 mt -67.3 175.79 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.8 pt-20 -122.14 148.46 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 33.0 mtt180 -35.33 -43.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.08 -59.88 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.939 ' OE1' HD22 ' A' ' 937' ' ' LEU . 8.3 tm-20 -53.05 -42.56 65.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -59.52 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -47.1 -48.67 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -57.92 -51.35 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.44 HD11 ' OE2' ' A' ' 941' ' ' GLU . 71.6 mt -51.36 -61.07 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.513 ' CD1' HG21 ' A' ' 921' ' ' THR . 21.5 t80 -46.44 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -42.18 -51.59 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -55.68 -45.21 77.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.437 ' NE2' HD11 ' A' ' 953' ' ' LEU . 68.2 t60 -56.79 -48.62 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.61 -52.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -56.37 -39.66 73.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.56 92.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.437 HD11 ' NE2' ' A' ' 949' ' ' HIS . 67.1 mt -61.95 -59.32 5.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 897' ' ' GLU . 46.4 ttp180 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 8.8 mm-40 -35.28 -65.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -41.56 -45.78 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.556 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.55 -43.7 93.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 76.9 mt -59.31 -60.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.89 -48.77 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -55.77 -41.44 74.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.729 ' CD2' HD13 ' A' ' 945' ' ' LEU . 28.8 t80 -58.84 -49.85 76.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -55.86 -50.07 71.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -55.95 -48.84 75.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 10.8 tp -55.87 -43.63 77.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.478 HD23 HD11 ' A' ' 925' ' ' LEU . 58.6 mt -56.53 -49.63 74.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.472 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 17.1 t -60.61 -55.95 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.82 -64.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 40.2 mmm -61.07 -58.25 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.473 HG21 HG23 ' A' ' 921' ' ' THR . 5.8 t -101.01 72.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -75.13 -23.11 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.9 m -77.85 167.97 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 91.3 p -128.58 17.38 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -115.06 33.44 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.73 171.59 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 68.8 m -108.56 156.68 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.49 ' CD1' ' HG3' ' A' ' 943' ' ' GLU . 23.2 t-105 -56.16 -68.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 919' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 918' ' ' TRP . 8.8 m -35.45 -62.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 9.7 t0 -49.25 -43.19 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.476 HG21 ' CD1' ' A' ' 946' ' ' PHE . 52.9 m -63.33 -42.09 98.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.466 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 17.0 ttt-85 -58.45 -52.59 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 923' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 8.8 ptp180 -58.0 -39.99 79.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 924' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' A' ' 923' ' ' ARG . 75.1 m -61.49 -68.12 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.478 HD11 HD23 ' A' ' 907' ' ' LEU . 61.8 mt -47.25 -47.41 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 925' ' ' LEU . 38.7 mtp180 -37.01 -66.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -43.76 -42.06 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 925' ' ' LEU . 17.7 t0 -43.69 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -91.11 -51.15 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.474 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 5.4 mpt_? -48.4 -44.18 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -38.85 -34.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -45.92 -53.22 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.7 m -65.06 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.19 -14.39 11.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.1 m -45.48 -38.1 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 899' ' ' ALA . 41.4 mt -41.29 -52.55 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 937' ' ' LEU . . . . . 0.403 ' O ' ' NZ ' ' A' ' 942' ' ' LYS . 14.8 mt -60.89 164.82 4.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.1 pt-20 -110.44 149.97 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 5.5 ttt180 -35.79 -43.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.35 -56.64 18.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -56.66 -44.27 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 937' ' ' LEU . 49.2 mttp -57.4 -59.14 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 943' ' ' GLU . . . . . 0.49 ' HG3' ' CD1' ' A' ' 918' ' ' TRP . 10.3 tt0 -51.78 -45.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -58.61 -47.53 84.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 903' ' ' PHE . 39.2 mt -54.43 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 950' ' ' ILE . 27.3 t80 -47.66 -62.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -41.52 -48.63 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -60.61 -42.49 96.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.513 ' NE2' HD11 ' A' ' 953' ' ' LEU . 48.5 t60 -58.83 -54.69 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 946' ' ' PHE . 38.4 mm -51.46 -53.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.87 -43.84 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.36 69.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.513 HD11 ' NE2' ' A' ' 949' ' ' HIS . 49.5 mt -66.75 -59.68 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.495 ' HA ' HD13 ' A' ' 936' ' ' LEU . 30.9 ttm-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 897' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 900' ' ' ILE . 18.0 mm-40 -35.16 -58.91 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -49.33 -45.83 45.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.551 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.5 -43.36 93.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 897' ' ' GLU . 72.5 mt -57.66 -62.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -56.46 -47.3 79.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -58.28 -43.0 87.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 907' ' ' LEU . 15.9 t80 -55.18 -57.37 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -59.93 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.15 -39.73 60.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.92 -38.21 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 903' ' ' PHE . 37.7 mt -68.26 -32.22 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 28.9 t -82.9 -26.92 31.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.71 -41.17 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 42.9 mmm -94.7 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.616 ' CG1' HG21 ' A' ' 916' ' ' VAL . 3.1 t -77.3 53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -62.26 -13.94 33.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 38.4 m -83.13 173.57 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.7 p -121.78 -35.39 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -80.61 47.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.616 HG21 ' CG1' ' A' ' 911' ' ' VAL . 30.4 m -112.97 168.67 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.5 m -107.42 147.31 30.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -59.51 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 4.8 t -46.93 -51.58 16.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.77 -54.8 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.592 ' CG2' HG21 ' A' ' 911' ' ' VAL . 48.0 m -61.81 -43.61 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -44.72 -58.9 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -62.62 -49.6 74.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 59.7 m -42.71 -51.42 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 928' ' ' ASP . 33.9 mt -67.31 -52.06 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.455 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 34.4 mtt180 -34.76 -55.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.99 -40.54 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 925' ' ' LEU . 29.3 t0 -50.13 172.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -89.26 -55.07 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 8.1 mpt_? -44.43 -49.75 9.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.455 ' CD1' ' HA ' ' A' ' 926' ' ' ARG . 21.4 t-105 -35.89 -39.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.64 -55.37 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 10.3 m -67.46 -36.66 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.69 -13.52 6.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 935' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 936' ' ' LEU . 9.0 m -40.8 -43.95 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 899' ' ' ALA . 30.9 mt -36.79 -50.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.67 127.23 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 941' ' ' GLU . 7.6 pt-20 -77.5 154.2 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 4.7 ttm105 -36.8 -43.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -49.18 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 938' ' ' GLU . 8.6 mm-40 -61.83 -43.73 98.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.427 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 35.8 mttm -61.95 -41.69 98.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.69 -55.07 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -59.8 -56.46 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -46.52 -53.77 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.495 ' CE1' HD11 ' A' ' 950' ' ' ILE . 28.8 t80 -51.12 -58.63 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -48.02 -47.8 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.31 -44.19 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 73.9 t60 -60.98 -52.42 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 946' ' ' PHE . 42.9 mm -54.32 -65.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 951' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 11.4 pt-20 -46.96 -43.22 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 952' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -55.15 -45.14 75.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.33 -54.12 50.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 32.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.487 ' HA ' HD13 ' A' ' 936' ' ' LEU . 20.6 ttp180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.796 0.331 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.36 -51.54 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -50.15 -54.6 19.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -51.98 -46.83 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.22 -67.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.56 -53.02 33.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -53.93 -35.46 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.518 ' HD2' HD13 ' A' ' 945' ' ' LEU . 13.1 t80 -62.34 -53.66 51.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 904' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' A' ' 907' ' ' LEU . 58.4 mttt -53.01 -55.34 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.98 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.11 -45.85 91.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 904' ' ' LYS . 48.5 mt -54.86 -41.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 29.5 t -67.63 -43.49 80.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.72 -63.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 910' ' ' MET . . . . . 0.41 ' CE ' HG22 ' A' ' 924' ' ' THR . 8.9 mmm -60.87 -45.67 93.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.4 t -107.44 88.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -87.48 -9.9 53.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.3 m -99.1 -176.61 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 914' ' ' SER . . . . . 0.413 ' HA ' HG23 ' A' ' 950' ' ' ILE . 74.4 p -127.18 -30.99 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.67 45.18 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.469 HG23 ' HZ ' ' A' ' 946' ' ' PHE . 27.7 m -103.48 -176.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.4 m -124.95 134.32 52.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.448 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.6 t-105 -42.93 -54.15 4.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 78.3 p -50.65 -59.53 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -43.56 -54.34 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 924' ' ' THR . 74.4 m -52.53 -63.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.448 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 10.3 ttt-85 -39.56 -48.76 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -62.22 -34.01 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 924' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 921' ' ' THR . 39.5 m -71.6 -47.08 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 928' ' ' ASP . 21.2 mt -67.57 -48.94 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 925' ' ' LEU . 24.4 mtp180 -34.53 -56.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.47 -39.58 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.4 t70 -44.61 160.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -86.05 -55.87 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -48.01 -32.73 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -44.27 -30.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.57 -55.62 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 p -59.18 -40.56 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.57 -14.17 3.41 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.3 m -49.14 -46.98 45.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.831 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 896' ' ' ARG . 40.8 mt -38.49 -52.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.36 177.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 939' ' ' ARG . 21.9 pt-20 -133.21 155.72 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 938' ' ' GLU . 11.7 ptm180 -35.19 -41.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.6 -55.61 32.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.03 -45.56 91.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -55.44 -50.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.55 -60.41 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -50.79 -59.75 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.518 HD13 ' HD2' ' A' ' 903' ' ' PHE . 21.1 mt -43.7 -47.62 7.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 950' ' ' ILE . 54.1 t80 -54.81 -56.64 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.03 -48.0 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.59 -55.11 32.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 953' ' ' LEU . 23.0 t60 -46.35 -60.7 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.524 HD11 ' CE1' ' A' ' 946' ' ' PHE . 16.7 mm -46.44 -54.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -53.66 -39.17 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.95 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 949' ' ' HIS . 60.5 mt -53.15 -55.51 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 26.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' A' ' 936' ' ' LEU . 28.6 ttm-85 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.777 0.323 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 897' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 900' ' ' ILE . 8.9 mm-40 -47.56 -61.54 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -48.71 -41.78 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 98.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 897' ' ' GLU . 76.3 mt -55.74 -59.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -56.71 -56.33 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -52.02 -41.8 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.486 ' HD2' HD13 ' A' ' 945' ' ' LEU . 36.2 t80 -56.56 -56.16 24.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.15 -55.21 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.23 -41.03 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.6 -37.34 86.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 903' ' ' PHE . 67.6 mt -65.83 -36.6 83.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 10.2 t -81.87 -29.7 32.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.9 -39.65 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 35.9 mmm -96.44 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.802 HG21 HG23 ' A' ' 921' ' ' THR . 11.8 t -84.53 73.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -84.77 -7.51 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 33.2 t -82.74 159.21 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 62.2 p -117.3 6.63 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -115.25 45.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.17 172.25 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 t -122.14 158.18 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 919' ' ' SER . 27.9 t-105 -41.4 -59.98 1.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 919' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 918' ' ' TRP . 6.7 m -35.64 -69.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.34 -47.79 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.802 HG23 HG21 ' A' ' 911' ' ' VAL . 23.4 m -58.85 -66.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 921' ' ' THR . 63.9 ttt180 -35.22 -51.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 923' ' ' ARG . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 923' ' ' ARG . 14.1 mtp-105 -63.86 -61.65 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 94.9 m -39.5 -42.13 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 928' ' ' ASP . 19.3 mt -74.31 -44.92 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -43.11 -30.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -80.93 -32.94 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 8.5 t70 -60.09 165.9 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 929' ' ' HIS . . . . . 0.43 ' N ' ' CG ' ' A' ' 928' ' ' ASP . 2.6 t-80 -88.16 -49.66 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.422 ' H ' ' CD ' ' A' ' 930' ' ' ARG . 0.1 OUTLIER -52.81 -31.23 37.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -41.94 -31.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.71 -49.92 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 93.3 p -65.56 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -59.04 -14.46 24.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.2 m -52.02 -42.95 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 896' ' ' ARG . 27.5 mt -41.98 -40.99 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.4 mt -77.54 118.53 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -60.18 155.52 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -44.32 -36.79 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -66.34 -41.6 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -71.32 -35.46 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -65.62 -52.6 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.82 -54.48 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -56.77 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.486 HD13 ' HD2' ' A' ' 903' ' ' PHE . 34.4 mt -49.45 -53.3 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.73 -55.7 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -46.99 -44.41 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.14 -54.54 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.912 ' CE1' HD11 ' A' ' 953' ' ' LEU . 61.8 t60 -44.25 -53.4 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.52 -54.85 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -17.15 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -88.25 -35.42 17.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.912 HD11 ' CE1' ' A' ' 949' ' ' HIS . 19.4 mt -79.52 -9.47 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 897' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 900' ' ' ILE . 7.9 mm-40 -38.83 -63.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -41.05 -48.25 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.724 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -61.08 -46.87 88.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 897' ' ' GLU . 88.9 mt -53.39 -65.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -51.18 -52.68 41.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -50.62 -40.88 54.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.491 ' HD2' HD13 ' A' ' 945' ' ' LEU . 21.8 t80 -60.83 -58.32 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -49.22 -51.28 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.9 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.44 -41.56 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.93 -48.85 77.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 26.1 t -68.42 -50.19 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.58 -60.52 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.1 mmm -72.98 -57.32 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.784 HG21 HG23 ' A' ' 921' ' ' THR . 5.5 t -97.05 82.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 912' ' ' ARG . . . . . 0.452 ' O ' HD13 ' A' ' 953' ' ' LEU . 20.2 ptp180 -93.3 -11.52 32.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.3 t -79.45 174.05 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 68.6 p -117.95 -22.72 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -91.77 45.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.779 HG21 ' CG1' ' A' ' 911' ' ' VAL . 18.9 m -117.87 143.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 49.3 m -93.26 152.71 19.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.08 -37.81 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.0 m -67.16 -49.38 64.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.84 -43.37 63.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.784 HG23 HG21 ' A' ' 911' ' ' VAL . 91.6 m -69.76 -56.61 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 921' ' ' THR . 46.9 ttt180 -37.28 -55.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.51 -50.0 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 88.5 m -48.99 -42.02 36.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 928' ' ' ASP . 78.5 mt -75.33 -44.81 43.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 925' ' ' LEU . 52.0 mtp85 -37.02 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -65.28 -41.76 93.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 925' ' ' LEU . 36.1 t70 -54.14 169.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -97.19 -50.35 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 931' ' ' TRP . 24.6 mtt180 -42.01 -44.91 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.433 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.3 t-105 -34.92 -43.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -39.53 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 13.3 p -60.7 -39.16 87.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.3 -14.43 4.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.9 t -52.41 -44.41 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' A' ' 899' ' ' ALA . 26.8 mt -39.03 -47.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.23 179.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 939' ' ' ARG . 10.1 pt-20 -124.4 151.47 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 938' ' ' GLU . 15.3 ttm180 -35.45 -46.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.12 -56.15 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.45 -46.31 83.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -56.48 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -54.79 -51.93 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -51.15 -57.59 8.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.491 HD13 ' HD2' ' A' ' 903' ' ' PHE . 41.4 mt -46.3 -56.47 5.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.427 ' HE1' HG11 ' A' ' 911' ' ' VAL . 50.6 t80 -51.01 -62.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -43.68 -42.33 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.1 -47.5 82.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.615 ' NE2' HD11 ' A' ' 953' ' ' LEU . 51.5 t60 -51.85 -56.75 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 22.2 mm -53.8 -54.75 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -50.57 -29.32 10.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -75.12 -56.26 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.615 HD11 ' NE2' ' A' ' 949' ' ' HIS . 87.6 mt -49.54 -34.32 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.07 -49.09 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -51.79 -43.46 63.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -62.68 -40.77 98.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.77 -55.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -62.92 -40.33 97.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -64.11 -63.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 907' ' ' LEU . 39.8 t80 -47.4 -55.2 9.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.84 -63.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -46.73 -38.03 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.9 tp -69.53 -29.91 67.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' A' ' 903' ' ' PHE . 81.0 mt -70.31 -42.03 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.548 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 48.0 t -74.81 -29.04 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.32 -41.87 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 76.9 mmm -84.47 -41.92 16.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 921' ' ' THR . 4.6 t -100.55 79.91 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -77.71 -14.76 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -99.71 176.53 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 95.1 p -125.89 -26.98 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.87 44.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.449 HG23 ' HZ ' ' A' ' 946' ' ' PHE . 14.1 m -114.2 179.02 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.4 t -115.76 154.2 30.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.43 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 11.4 t-105 -55.4 -47.51 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 80.8 p -56.6 -57.9 10.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -53.02 5.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.448 HG23 ' CG2' ' A' ' 911' ' ' VAL . 86.7 m -63.09 -57.0 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.43 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 12.0 ttt180 -38.79 -61.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -56.49 -40.7 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 90.2 m -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 907' ' ' LEU . 15.0 mt -66.5 -51.22 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -38.14 -44.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -42.69 99.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 12.4 t70 -51.33 167.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 929' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 10.3 t-160 -86.38 -52.78 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 1.9 mpt_? -44.23 -40.36 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 930' ' ' ARG . 21.5 t-105 -37.53 -41.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -43.12 -50.33 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 7.4 m -71.84 -28.84 63.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.72 -12.82 29.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 29.8 m -48.2 -45.17 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.468 HD12 ' HB2' ' A' ' 899' ' ' ALA . 25.2 mt -37.35 -50.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.83 125.91 28.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.6 pt-20 -76.36 149.54 36.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 73.6 mtm180 -35.79 -49.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.67 -48.34 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.03 -40.42 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -60.45 -54.16 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.96 -49.99 62.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.16 -51.32 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.4 mt -56.63 -55.89 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.449 ' HZ ' HG23 ' A' ' 916' ' ' VAL . 86.9 t80 -47.56 -55.25 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -49.22 -50.79 36.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.38 -45.3 88.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 13.5 t60 -52.41 -56.52 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 40.2 mm -51.76 -51.62 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -42.1 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 70.4 mt -44.79 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.778 0.323 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -41.66 -51.2 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 898' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 899' ' ' ALA . 7.9 pt-20 -50.66 -42.77 56.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.79 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -63.77 -50.86 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 65.6 mt -51.53 -69.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -50.05 -49.45 51.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 898' ' ' GLU . 94.0 m-20 -53.09 -44.3 67.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.435 ' CD2' HD12 ' A' ' 937' ' ' LEU . 23.1 t80 -56.92 -52.84 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -50.05 -60.83 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.63 -30.02 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.53 -45.82 64.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.56 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 35.4 t -66.14 -50.47 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -59.23 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 98.0 mmm -62.07 -44.47 96.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 6.6 t -106.2 90.23 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -89.1 -2.13 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 47.2 m -106.25 172.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 17.2 p -123.25 -11.89 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.86 48.64 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 19.6 m -112.43 -177.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.5 m -119.78 140.03 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.416 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 13.0 t-105 -44.6 -67.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 919' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 920' ' ' ASP . 82.1 p -41.65 -59.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 920' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 919' ' ' SER . 1.1 m-20 -37.72 -63.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 3.5 m -59.39 -38.21 79.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -48.11 -50.76 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -69.86 -45.89 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 55.5 m -46.77 -45.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.78 -36.13 57.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -49.72 -41.88 44.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -73.89 -27.45 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.11 160.89 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.05 -52.99 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.5 mtt85 -42.54 -49.97 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 934' ' ' GLY . 7.7 t-105 -36.82 -43.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -38.99 -61.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 4.4 m -66.55 -21.98 66.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 934' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -68.71 -10.09 60.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 5.3 m -45.75 -40.03 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.876 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' A' ' 899' ' ' ALA . 39.7 mt -37.38 -49.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 937' ' ' LEU . . . . . 0.793 HD22 ' HG2' ' A' ' 941' ' ' GLU . 17.0 mt -68.53 152.8 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.2 pt-20 -106.96 151.69 24.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 938' ' ' GLU . 16.2 ptt180 -34.91 -45.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.99 -53.79 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 941' ' ' GLU . . . . . 0.793 ' HG2' HD22 ' A' ' 937' ' ' LEU . 3.7 tp10 -60.54 -54.43 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 903' ' ' PHE . 31.7 mttm -46.8 -56.66 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.94 -53.23 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -45.54 -47.29 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 946' ' ' PHE . 26.5 mt -62.37 -66.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 946' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 945' ' ' LEU . 43.2 t80 -36.98 -33.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 947' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 945' ' ' LEU . 23.1 m-20 -70.63 -56.76 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 948' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 5.7 pt-20 -53.7 -47.26 70.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.616 ' CE1' HD11 ' A' ' 953' ' ' LEU . 14.2 t60 -56.92 -64.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 16.4 mm -41.9 -56.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 951' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 5.1 pt-20 -62.01 -31.83 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 952' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -66.69 -24.42 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.616 HD11 ' CE1' ' A' ' 949' ' ' HIS . 54.4 mt -75.31 -41.55 56.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -44.18 -48.97 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.53 -46.01 57.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.83 -48.06 83.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.39 -66.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -45.88 -52.13 11.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -56.2 -36.55 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.423 ' HD2' HD13 ' A' ' 945' ' ' LEU . 13.5 t80 -68.18 -46.8 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -52.27 -56.12 16.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.95 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 910' ' ' MET . 12.1 tp -58.88 -36.54 74.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 903' ' ' PHE . 67.0 mt -64.13 -45.46 88.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 42.5 t -70.66 -53.36 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.56 -47.43 70.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 910' ' ' MET . . . . . 0.428 ' HG2' HD12 ' A' ' 906' ' ' LEU . 98.5 mmm -75.69 -40.6 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.76 78.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.56 -18.18 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 913' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 953' ' ' LEU . 63.5 m -94.03 178.01 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 914' ' ' SER . . . . . 0.411 ' HA ' HG23 ' A' ' 950' ' ' ILE . 90.1 p -125.75 -35.65 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -80.85 46.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 30.7 m -103.66 -176.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 19.3 m -113.34 144.39 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.51 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 6.9 t-105 -57.82 -54.47 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 70.8 m -50.08 -52.21 36.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -50.58 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 56.9 m -57.75 -59.4 5.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 922' ' ' ARG . . . . . 0.51 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 51.3 ttt180 -39.77 -50.85 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -69.47 -35.19 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 41.2 m -65.44 -31.08 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.42 -30.08 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.95 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -42.21 15.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 7.6 t70 -51.36 164.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 929' ' ' HIS . . . . . 0.499 ' CD2' ' HD2' ' A' ' 930' ' ' ARG . 1.4 p-80 -87.69 -43.73 11.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.499 ' HD2' ' CD2' ' A' ' 929' ' ' HIS . 1.1 mpt_? -42.64 -45.83 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.516 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -45.41 -40.37 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 932' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 931' ' ' TRP . 28.5 mm-40 -35.6 -53.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 3.1 m -72.89 -32.74 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 934' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -57.05 -11.81 6.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 30.0 m -45.29 -43.55 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 899' ' ' ALA . 39.0 mt -39.26 -43.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 23.8 mt -72.81 157.64 37.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.41 163.59 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -43.5 -32.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 940' ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' A' ' 939' ' ' ARG . 6.7 tt0 -69.31 -46.95 65.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.34 -45.22 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.516 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 52.1 mttt -61.44 -51.51 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -57.55 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -58.35 -54.83 42.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 945' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 903' ' ' PHE . 25.1 mt -47.75 -47.08 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -56.78 -67.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -38.93 -45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -61.66 -52.68 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 24.4 t60 -49.84 -56.13 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.411 HG23 ' HA ' ' A' ' 914' ' ' SER . 10.9 mm -50.7 -59.6 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -46.5 -36.44 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 952' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -65.9 -49.4 68.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 913' ' ' SER . 60.1 mt -45.74 -56.12 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 897' ' ' GLU . 13.7 ttp-105 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.765 0.317 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 897' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 900' ' ' ILE . 28.7 mp0 -37.54 -56.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -46.64 -48.53 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.511 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -61.75 -43.68 98.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 900' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 897' ' ' GLU . 94.7 mt -54.29 -60.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -56.88 -50.65 71.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.89 -42.71 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 907' ' ' LEU . 22.5 t80 -59.06 -48.58 81.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -53.71 -56.32 18.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.74 82.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.497 HD21 HD22 ' A' ' 925' ' ' LEU . 13.2 tp -65.31 -31.96 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 903' ' ' PHE . 56.4 mt -70.2 -47.01 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 73.5 m -63.63 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.09 -65.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.0 mmm -60.55 -37.14 80.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.99 HG21 HG23 ' A' ' 921' ' ' THR . 16.4 t -122.73 78.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -89.43 -18.79 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 25.6 t -73.98 160.06 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 90.0 p -112.24 -6.59 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -102.79 46.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.445 HG21 HG13 ' A' ' 911' ' ' VAL . 12.2 m -130.33 141.72 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 50.6 m -94.02 168.3 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 918' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 919' ' ' SER . 24.6 t-105 -52.42 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 919' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 918' ' ' TRP . 16.2 m -34.57 -51.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -61.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.99 HG23 HG21 ' A' ' 911' ' ' VAL . 79.1 m -57.78 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.23 -56.51 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -61.26 -37.59 83.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 39.3 m -56.21 -55.33 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.497 HD22 HD21 ' A' ' 906' ' ' LEU . 26.9 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -41.97 -33.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 927' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 927' ' ' LYS . 3.0 mmpt? -79.95 -44.26 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 19.8 t0 -52.57 149.32 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 929' ' ' HIS . . . . . 0.436 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 2.1 m-70 -72.03 -40.79 68.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 931' ' ' TRP . 9.7 mpt_? -53.45 -48.87 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 930' ' ' ARG . 14.0 t-105 -36.67 -37.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -46.28 -61.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 m -57.7 -38.84 75.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.76 -14.31 5.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -43.77 -36.28 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 899' ' ' ALA . 48.5 mt -41.86 -46.46 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.63 163.69 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.29 155.05 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -42.3 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 940' ' ' GLU . . . . . 0.43 ' N ' ' HG2' ' A' ' 939' ' ' ARG . 25.9 tt0 -74.49 -49.01 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -64.94 -35.55 81.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.09 -53.91 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 943' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 943' ' ' GLU . 1.2 tm-20 -54.22 -41.75 69.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.44 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 23.1 mt -47.34 -42.9 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.24 -53.86 53.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.62 -56.02 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -46.43 -44.91 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 953' ' ' LEU . 31.7 t60 -57.61 -55.7 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.89 -63.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.5 -30.93 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 952' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -69.41 -38.19 77.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 949' ' ' HIS . 22.8 mt -67.07 -44.9 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.479 ' HA ' HD13 ' A' ' 936' ' ' LEU . 23.1 ttm180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.772 0.32 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.36 -50.72 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -65.37 -38.71 90.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 86.4 mt -58.7 -56.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.89 -47.72 79.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -54.66 -43.36 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.66 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -48.09 -59.16 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.19 65.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.37 -36.26 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 925' ' ' LEU . 47.0 mt -61.13 -49.96 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 908' ' ' SER . . . . . 0.421 ' HA ' ' NE2' ' A' ' 949' ' ' HIS . 28.4 t -63.03 -50.77 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.3 -61.89 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 910' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' A' ' 925' ' ' LEU . 14.9 mmm -61.98 -31.92 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 921' ' ' THR . 4.2 t -127.12 89.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -95.41 -7.1 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 43.2 t -86.2 163.08 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 914' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 950' ' ' ILE . 87.8 p -118.46 -1.6 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -116.07 48.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 6.5 m -123.57 157.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.7 t -100.41 147.81 25.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -47.11 -48.12 23.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.3 m -43.86 -57.17 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.61 -47.33 79.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.727 HG23 HG21 ' A' ' 911' ' ' VAL . 95.8 m -54.89 -45.57 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -60.81 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -27.61 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 52.7 m -70.93 -61.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 928' ' ' ASP . 40.5 mt -61.17 -47.42 86.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 926' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 925' ' ' LEU . 28.3 mtp85 -35.74 -49.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -58.94 -42.43 89.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.6 t0 -58.89 145.18 42.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -66.88 -44.1 81.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 5.7 mmt-85 -45.37 -53.14 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 20.7 t-105 -37.39 -42.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -42.98 -49.94 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 16.0 m -67.95 -37.07 81.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.12 -14.45 11.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 935' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' LEU . 39.5 t -42.2 -40.96 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 899' ' ' ALA . 35.9 mt -37.38 -49.97 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.19 147.46 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 938' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.9 pt-20 -93.5 146.77 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 939' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.0 OUTLIER -34.99 -47.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.69 -52.74 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.03 -44.62 96.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 942' ' ' LYS . . . . . 0.42 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 60.7 mttm -57.56 -53.86 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.65 -45.87 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -54.84 -50.4 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 37.3 mt -55.64 -52.22 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -53.66 -57.79 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -48.36 -41.51 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.68 -42.84 73.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' ' HA ' ' A' ' 908' ' ' SER . 47.9 t60 -55.74 -43.28 76.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 953' ' ' LEU . 51.4 mm -66.99 -49.02 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -31.19 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -72.39 -53.46 12.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 950' ' ' ILE . 45.0 mt -38.94 -50.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 82.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 896' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 936' ' ' LEU . 51.8 ttt180 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.754 0.312 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.18 -33.63 53.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.32 -50.22 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 899' ' ' ALA . . . . . 0.881 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -58.35 -40.37 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.43 -65.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.01 -44.66 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 903' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 907' ' ' LEU . 37.3 t80 -56.99 -53.12 61.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -54.02 -48.12 70.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.26 90.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 906' ' ' LEU . . . . . 0.537 HD21 HD22 ' A' ' 925' ' ' LEU . 12.9 tp -58.04 -31.69 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 907' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 903' ' ' PHE . 51.9 mt -70.07 -56.3 7.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.8 t -62.58 -21.42 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.75 -65.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.1 mmm -71.03 -47.16 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 911' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 916' ' ' VAL . 59.2 t -98.98 62.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -74.7 -12.6 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 68.9 p -84.46 164.9 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 914' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 950' ' ' ILE . 92.0 p -122.26 9.14 9.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.43 39.59 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 916' ' ' VAL . . . . . 0.611 HG21 HG13 ' A' ' 911' ' ' VAL . 3.0 m -119.21 154.14 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.6 t -98.37 148.69 23.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -47.58 -45.68 27.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 26.7 p -51.34 -56.46 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -52.86 -39.17 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 921' ' ' THR . . . . . 0.57 HG23 HG21 ' A' ' 911' ' ' VAL . 20.3 m -67.56 -46.85 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -55.93 -36.38 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -82.58 -30.58 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 5.9 m -67.62 -46.52 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 925' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 906' ' ' LEU . 43.7 mt -70.43 -42.42 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -39.59 -50.58 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -30.14 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 928' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -60.79 168.54 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -46.0 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 930' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.4 mpt_? -50.01 -44.72 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 931' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 930' ' ' ARG . 31.5 t-105 -37.39 -41.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -46.62 -57.01 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.5 m -59.29 -39.02 81.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.85 -14.0 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.4 m -43.44 -45.0 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 936' ' ' LEU . . . . . 0.881 HD12 ' HB2' ' A' ' 899' ' ' ALA . 21.7 mt -39.75 -56.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.1 mt -60.24 163.14 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.37 159.7 15.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -46.28 -45.83 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.32 -57.85 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -50.76 -51.82 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -54.1 -55.13 30.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.84 -52.51 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -52.37 -52.78 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.03 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -39.46 -60.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -45.57 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.37 -46.24 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 949' ' ' HIS . . . . . 0.541 ' NE2' HD11 ' A' ' 953' ' ' LEU . 29.7 t60 -52.4 -52.13 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 950' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 953' ' ' LEU . 36.2 mm -58.33 -63.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 951' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 950' ' ' ILE . 75.5 mm-40 -38.32 -45.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.6 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 953' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 950' ' ' ILE . 75.6 mt -56.95 -55.31 36.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 82.4 p -53.04 123.91 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 47.9 m -58.12 -58.8 6.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -53.37 135.26 41.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 70.0 m -92.75 130.91 38.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 87.7 p -158.8 155.62 28.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 103.45 166.64 25.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.83 38.47 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -57.53 -53.24 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 890' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 894' ' ' HIS . 31.3 mt-10 -122.68 101.33 7.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 892' ' ' GLU . 13.6 ptm180 -112.07 -45.56 3.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 892' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 891' ' ' ARG . 22.3 mt-10 -48.9 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 893' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 894' ' ' HIS . 33.2 tt0 -52.58 -55.06 24.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 893' ' ' GLN . 6.6 m170 -35.81 -54.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -42.29 -50.39 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.504 ' HA ' HD13 ' A' ' 936' ' ' LEU . 58.9 ttp180 -69.44 -53.81 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 48.3 mm-40 -36.23 -52.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -48.83 -46.3 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.86 -43.72 94.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.9 mt -55.26 -64.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.78 -46.25 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.41 -40.85 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -59.94 -52.8 63.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 904' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 907' ' ' LEU . 0.3 OUTLIER -53.93 -54.11 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.4 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.14 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 904' ' ' LYS . 75.1 mt -67.76 -43.04 80.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.496 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 46.5 t -68.39 -45.38 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.96 -58.66 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 74.4 mmm -67.99 -56.42 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 7.6 t -100.48 73.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -75.52 -21.27 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 4.8 m -86.17 170.08 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 914' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 950' ' ' ILE . 86.1 p -126.85 5.42 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.33 34.55 2.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.54 167.14 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.0 t -109.73 154.79 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 943' ' ' GLU . 37.3 t-105 -50.51 -61.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 919' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 918' ' ' TRP . 5.4 m -34.99 -69.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.56 -51.45 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 922' ' ' ARG . 21.0 m -53.21 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 921' ' ' THR . 20.8 ttt180 -38.32 -55.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.74 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 78.8 m -62.95 -47.92 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.8 -36.84 84.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -53.65 -25.51 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -84.69 -33.06 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.81 163.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -82.47 -57.43 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -46.75 -41.75 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -39.41 -42.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -56.17 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 15.2 m -67.79 -26.21 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.63 48.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 935' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 936' ' ' LEU . 45.1 t -41.78 -43.77 3.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 899' ' ' ALA . 35.8 mt -34.66 -55.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.61 118.78 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.8 pt-20 -62.84 153.24 33.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.4 OUTLIER -37.98 -50.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.52 -52.58 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 945' ' ' LEU . 5.4 tm-20 -53.04 -52.27 59.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -56.52 -54.79 41.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 943' ' ' GLU . . . . . 0.486 ' HG3' ' CD2' ' A' ' 918' ' ' TRP . 26.4 tt0 -50.05 -47.29 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -57.49 -49.97 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.477 HD12 ' OE1' ' A' ' 941' ' ' GLU . 43.4 mt -52.09 -60.17 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 950' ' ' ILE . 21.2 t80 -46.68 -61.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -44.86 -50.83 10.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.55 -41.06 80.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.524 ' NE2' HD11 ' A' ' 953' ' ' LEU . 55.3 t60 -61.12 -39.82 91.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.521 HD11 ' CE1' ' A' ' 946' ' ' PHE . 14.8 mm -65.22 -62.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -47.1 -40.56 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.81 87.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.524 HD11 ' NE2' ' A' ' 949' ' ' HIS . 55.2 mt -53.48 -58.65 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 63.3 p -41.75 -46.27 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -47.85 -43.36 28.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.16 -41.56 81.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -43.07 123.58 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -54.78 -62.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -89.18 122.1 32.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 35.6 p -167.34 149.86 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -39.05 158.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.86 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 43.6 m -108.62 111.1 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 4.1 m -161.71 112.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 1.8 t -87.08 -57.3 3.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.923 0.392 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.1 t -72.31 146.59 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 171.43 -83.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 885' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 886' ' ' SER . 22.0 p -98.38 104.49 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 886' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 885' ' ' SER . 50.3 m 35.55 43.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -93.74 -121.14 3.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -138.68 126.96 22.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 55.6 ttm-85 -84.7 -57.29 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -97.41 -39.92 8.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -64.69 96.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -82.34 -66.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -108.73 55.36 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -119.15 17.94 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -68.34 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 897' ' ' GLU . 73.7 ttt180 -73.69 -41.48 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 897' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 896' ' ' ARG . 5.4 mm-40 -36.98 -49.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.67 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -50.09 -51.51 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.14 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -48.72 -55.7 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -52.43 -39.22 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.657 ' CD2' HD13 ' A' ' 945' ' ' LEU . 17.4 t80 -57.37 -66.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 904' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 907' ' ' LEU . 22.8 mttm -46.56 -55.04 8.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.47 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.58 -33.23 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 904' ' ' LYS . 34.0 mt -71.43 -32.78 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.9 t -81.87 -26.8 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -77.81 -36.17 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.0 mmm -98.37 -67.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.653 HG11 ' HE1' ' A' ' 946' ' ' PHE . 3.3 t -80.17 58.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 912' ' ' ARG . . . . . 0.65 ' O ' HD13 ' A' ' 953' ' ' LEU . 9.4 ttt180 -66.46 -27.54 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.0 m -80.98 172.69 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 6.4 p -125.82 0.09 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.51 26.83 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.523 HG21 ' CG1' ' A' ' 911' ' ' VAL . 18.2 m -109.48 168.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.3 t -115.29 152.41 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.522 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 19.4 t-105 -44.97 -68.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 55.7 p -38.27 -66.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -42.6 -49.93 5.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.419 HG23 HG21 ' A' ' 911' ' ' VAL . 35.0 m -55.57 -60.7 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.494 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 39.9 ttt180 -41.17 -49.61 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -64.91 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 89.0 m -64.46 -54.86 25.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 928' ' ' ASP . 18.4 mt -59.76 -50.53 73.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 925' ' ' LEU . 49.8 mtp180 -35.12 -56.14 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -47.65 -42.31 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -51.28 165.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 929' ' ' HIS . . . . . 0.406 ' CE1' ' OE2' ' A' ' 932' ' ' GLU . 1.8 t60 -92.0 -50.0 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 4.9 mmt180 -45.29 -46.53 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.0 t-105 -37.38 -39.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 932' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 929' ' ' HIS . 27.0 mt-10 -42.61 -50.42 5.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.5 m -68.64 -32.85 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.84 -13.25 6.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 935' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 936' ' ' LEU . 19.3 t -46.64 -44.15 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.873 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 899' ' ' ALA . 33.3 mt -35.44 -59.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.68 174.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.84 157.16 27.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -39.93 -45.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.4 -52.08 65.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -59.97 -51.35 70.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.3 -53.57 41.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -57.15 13.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.657 HD13 ' CD2' ' A' ' 903' ' ' PHE . 36.6 mt -47.39 -51.89 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.729 ' CE1' HD11 ' A' ' 950' ' ' ILE . 19.0 t80 -56.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -42.74 -47.97 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.8 -48.34 72.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.402 ' NE2' HD11 ' A' ' 953' ' ' LEU . 80.0 t60 -57.93 -47.7 82.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.729 HD11 ' CE1' ' A' ' 946' ' ' PHE . 45.2 mm -52.88 -60.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 951' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 7.6 pt-20 -57.34 -38.72 74.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -58.51 -39.13 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 912' ' ' ARG . 67.5 mt -63.42 -55.67 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 64.6 p -44.99 -44.58 10.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -70.3 -66.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 957' ' ' LYS . 3.6 mmmm -38.81 -43.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 956' ' ' LYS . 25.7 tptt -37.4 138.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -138.42 159.86 41.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 959' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 960' ' ' SER . 9.3 tp10 -49.22 -56.07 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 960' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 959' ' ' GLU . 48.1 m -35.53 -62.84 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 50.27 81.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 172.56 12.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 19.1 m -115.73 -62.38 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 1.4 t -107.81 147.15 31.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 79.7 p -170.31 146.26 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.7 t -93.21 55.82 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 169.54 154.38 9.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 16.2 m -43.74 123.92 3.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 2.9 m -76.45 114.66 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -136.56 -171.1 12.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -131.55 -50.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 890' ' ' GLU . 0.0 OUTLIER -40.9 -45.44 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 890' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 889' ' ' ARG . 26.2 tt0 -37.98 -42.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 890' ' ' GLU . 22.7 ptt180 -37.86 -47.01 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -40.07 -55.13 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -98.87 42.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 895' ' ' LYS . 4.2 t60 -113.71 -54.56 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 895' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 894' ' ' HIS . 22.1 mmmt -37.44 -47.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -72.97 -49.15 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 897' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 900' ' ' ILE . 17.1 mm-40 -40.96 -52.3 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.87 -43.35 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 897' ' ' GLU . 84.1 mt -55.82 -60.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.68 -51.9 67.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -53.35 -43.69 67.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.499 ' HD2' HD13 ' A' ' 945' ' ' LEU . 17.8 t80 -56.19 -54.92 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 904' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 907' ' ' LEU . 28.0 mttm -49.04 -55.47 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.4 -43.9 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.01 -41.19 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 904' ' ' LYS . 38.0 mt -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 43.2 t -78.58 -25.18 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.08 -38.78 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 41.5 mmm -98.61 -54.4 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.676 ' CG1' HG21 ' A' ' 916' ' ' VAL . 3.4 t -89.99 64.33 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -69.08 -6.33 27.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 26.3 m -102.12 175.31 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.9 p -121.2 -20.21 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -87.93 46.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.676 HG21 ' CG1' ' A' ' 911' ' ' VAL . 34.5 m -112.75 -176.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.5 t -120.73 156.69 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.551 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 13.1 t-105 -62.9 -44.68 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.2 m -63.72 -53.41 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.06 -47.51 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.502 ' CG2' HG21 ' A' ' 911' ' ' VAL . 61.7 m -64.48 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.551 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 56.6 ttt180 -34.87 -60.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 -58.28 -42.85 87.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 98.0 m -54.64 -26.58 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 17.9 mt -94.26 -33.63 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -48.69 -41.33 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -72.54 -29.69 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.64 170.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -93.83 -47.79 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 -33.32 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -39.94 -37.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -55.81 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.3 p -55.02 -39.29 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.0 6.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.5 t -51.37 -51.55 53.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 29.2 mt -42.95 -38.31 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.37 115.12 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 941' ' ' GLU . 15.5 pt-20 -64.59 154.53 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -54.35 -43.72 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 945' ' ' LEU . 12.1 mm-40 -69.65 -36.1 75.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -66.43 -49.0 68.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.11 -57.36 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -61.05 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.499 HD13 ' HD2' ' A' ' 903' ' ' PHE . 32.1 mt -43.57 -48.87 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 950' ' ' ILE . 43.6 t80 -53.34 -55.47 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -52.36 -47.44 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -50.75 -48.0 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.541 ' NE2' HD11 ' A' ' 953' ' ' LEU . 53.5 t60 -58.65 -63.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 946' ' ' PHE . 25.2 mm -37.33 -47.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.44 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.541 HD11 ' NE2' ' A' ' 949' ' ' HIS . 87.3 mt -56.78 -55.38 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 61.0 p -64.99 -61.67 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -38.8 -44.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -71.48 -57.0 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 958' ' ' ARG . 8.6 mtpm? -39.68 149.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 958' ' ' ARG . . . . . 0.54 ' N ' ' NE ' ' A' ' 958' ' ' ARG . 0.0 OUTLIER -37.99 115.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -139.98 160.22 40.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 10.2 t -63.91 86.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 131.64 79.37 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 160.67 48.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 66.3 p -105.34 -64.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 68.6 m -150.1 173.93 13.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 64.6 p -138.35 137.31 37.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 29.5 t -67.69 136.82 54.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -77.54 156.24 44.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 885' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 886' ' ' SER . 23.8 m -56.81 112.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 886' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 885' ' ' SER . 35.1 p -38.44 143.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 150.71 -142.61 9.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.463 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 888' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 891' ' ' ARG . 0.7 OUTLIER -59.68 -44.77 93.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -45.26 -48.03 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -66.82 -23.4 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 888' ' ' ASP . 23.0 ttp180 -97.76 39.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -84.29 -50.37 7.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -118.63 38.23 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -68.99 -40.45 78.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -38.66 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.578 ' HA ' HD13 ' A' ' 936' ' ' LEU . 23.9 ttm180 -87.34 -49.66 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -39.58 -59.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 898' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 899' ' ' ALA . 11.8 pt-20 -41.3 -51.68 3.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -54.13 -50.7 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 95.3 mt -52.89 -65.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -50.42 -53.53 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -55.27 -37.56 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.638 ' CD2' HD13 ' A' ' 945' ' ' LEU . 33.3 t80 -58.35 -49.17 78.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -60.05 -47.77 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.2 84.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.63 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 911' ' ' VAL . 81.8 mt -65.78 -47.9 73.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 30.0 t -61.42 -47.36 86.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.02 -65.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 71.9 mmm -64.37 -55.67 19.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.533 HG21 HG23 ' A' ' 921' ' ' THR . 15.5 t -102.24 69.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.1 ttp-105 -75.45 -26.04 57.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -83.02 163.22 21.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 914' ' ' SER . . . . . 0.492 ' HA ' HD12 ' A' ' 950' ' ' ILE . 5.3 p -120.61 19.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.08 33.08 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.1 173.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.1 t -111.18 158.83 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.442 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.9 t-105 -53.73 -56.0 21.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 5.2 t -48.57 -67.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 58.2 m-20 -38.8 -51.19 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.533 HG23 HG21 ' A' ' 911' ' ' VAL . 97.9 m -58.87 -45.48 90.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.442 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 7.0 ttt-85 -53.59 -46.06 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 923' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 26.9 ptt180 -73.15 -24.68 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.8 m -75.12 -41.9 57.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.06 -37.6 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -49.35 -47.42 47.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -65.37 -30.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -58.0 159.27 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.81 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -79.56 -58.83 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.9 mtt180 -42.27 -42.39 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.54 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 6.6 t-105 -34.5 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 8.9 t -59.74 -43.95 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.0 -14.7 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 85.5 p -53.02 -39.32 63.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.742 HD12 ' HB2' ' A' ' 899' ' ' ALA . 24.7 mt -40.34 -42.24 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.24 175.1 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.7 pt-20 -121.15 148.12 44.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 938' ' ' GLU . 10.1 ptt180 -35.01 -44.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.41 -61.0 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.91 -46.52 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.54 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 20.5 mtpp -56.11 -61.48 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.89 -47.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -59.06 -50.02 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.638 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -52.04 -60.09 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.459 ' CZ ' HG13 ' A' ' 950' ' ' ILE . 21.7 t80 -49.87 -59.45 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -46.65 -44.4 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.34 -52.03 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.593 ' NE2' HD11 ' A' ' 953' ' ' LEU . 71.7 t60 -53.36 -54.54 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 914' ' ' SER . 26.1 mm -54.75 -55.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.41 -39.27 60.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.49 -53.59 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.593 HD11 ' NE2' ' A' ' 949' ' ' HIS . 31.9 mt -47.17 -63.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 18.3 p -45.72 -54.06 8.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -51.99 -47.2 64.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -62.23 -57.47 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -41.88 151.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 958' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 958' ' ' ARG . 16.7 mtm105 -67.83 169.03 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.89 -60.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 73.3 m -124.13 125.87 45.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -67.86 -84.23 0.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -177.8 2.04 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 77.8 p -155.22 129.25 8.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 4.1 m -82.09 116.71 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 34.2 p -135.24 149.15 49.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 37.6 m -108.24 98.38 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -153.61 130.45 2.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 57.9 m -107.37 93.78 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 43.7 p -107.01 155.62 19.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 107.23 144.94 11.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.09 -41.42 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -63.83 -35.54 80.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 890' ' ' GLU . . . . . 0.442 ' HG2' ' CE1' ' A' ' 894' ' ' HIS . 10.6 tt0 -74.81 -20.55 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -78.91 -9.99 59.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -82.24 -19.47 39.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -121.99 26.01 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 890' ' ' GLU . 11.7 m170 -113.56 38.25 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -63.33 -67.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' A' ' 936' ' ' LEU . 27.7 ttm180 -67.04 -53.57 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -39.97 -43.92 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.3 -45.55 90.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.728 ' CB ' HD12 ' A' ' 936' ' ' LEU . . . -60.3 -44.08 95.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.65 -62.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -54.96 -45.33 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -58.93 -43.14 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -56.24 -50.84 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -54.42 -56.56 17.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.33 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.54 -36.62 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 911' ' ' VAL . 56.7 mt -61.84 -48.5 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 24.6 t -62.71 -49.93 73.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.05 -46.98 84.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 70.7 mmm -78.95 -21.77 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 907' ' ' LEU . 13.2 t -127.65 92.76 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -93.75 -2.57 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.8 m -102.62 179.08 4.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 99.7 p -128.27 -30.48 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.73 44.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.55 -175.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 23.4 m -118.31 142.18 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.53 -39.31 76.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 17.0 m -65.65 -43.45 89.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.85 -54.87 39.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 44.0 m -66.47 -50.6 62.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -42.12 -45.11 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -75.97 -45.14 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 58.0 m -49.92 -48.27 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 928' ' ' ASP . 24.1 mt -66.86 -48.54 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 931' ' ' TRP . 9.0 mtp-105 -43.96 -28.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.24 -33.58 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 925' ' ' LEU . 30.5 t0 -56.71 174.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -91.39 -46.84 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.62 -35.51 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 926' ' ' ARG . 9.8 t-105 -43.44 -34.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.83 -55.34 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.5 t -60.21 -29.65 68.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.75 -12.64 28.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.3 m -51.28 -43.01 61.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 899' ' ' ALA . 16.6 mt -40.53 -44.13 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.24 161.48 29.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 939' ' ' ARG . 14.6 pt-20 -111.42 155.92 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 48.0 mtm-85 -37.18 -43.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.89 -55.44 34.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.74 -44.55 90.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -56.38 -52.62 63.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.36 -56.18 25.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -44.38 -52.81 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 946' ' ' PHE . 40.1 mt -58.52 -66.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 945' ' ' LEU . 42.7 t80 -36.05 -35.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -68.87 -58.25 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 948' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 4.9 pt-20 -52.46 -46.77 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.551 ' O ' ' HB3' ' A' ' 952' ' ' ALA . 19.6 t60 -55.55 -64.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 19.9 mm -42.41 -63.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 951' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 6.3 pt-20 -52.48 -30.87 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -66.29 -35.39 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.88 -43.91 94.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 41.3 p -62.95 -60.26 3.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.41 -47.84 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 957' ' ' LYS . 0.0 OUTLIER -56.36 -47.38 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 956' ' ' LYS . 37.1 tttp -34.56 -57.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -70.86 76.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -126.2 131.87 51.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 68.0 m -74.27 -52.28 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -130.77 83.39 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.96 66.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.733 2.289 . . . . 0.0 112.333 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 20.4 p -103.1 -17.53 15.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 59.6 p -76.19 123.54 26.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.5 t -59.06 -54.36 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.82 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.0 m -93.78 -49.11 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 72.48 169.05 12.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 28.0 t -158.54 149.42 20.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 12.6 m -93.29 95.37 9.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -148.44 157.82 27.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.24 -30.69 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -47.48 -35.9 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.63 -40.16 62.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 891' ' ' ARG . 0.3 OUTLIER -38.46 -44.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 892' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 891' ' ' ARG . 21.8 tt0 -53.28 -59.65 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -97.62 40.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -77.11 -51.22 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -38.78 -47.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 936' ' ' LEU . 8.4 ttm105 -68.49 -54.15 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -40.43 -48.71 2.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.33 -47.68 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.681 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -57.49 -43.36 84.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.427 HG22 ' HE3' ' A' ' 904' ' ' LYS . 92.6 mt -57.05 -66.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.75 -50.87 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -56.35 -37.72 70.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 907' ' ' LEU . 25.4 t80 -60.38 -46.99 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 904' ' ' LYS . . . . . 0.427 ' HE3' HG22 ' A' ' 900' ' ' ILE . 43.6 mttt -58.4 -50.37 73.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.27 93.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.84 -41.93 98.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 903' ' ' PHE . 66.4 mt -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 22.7 t -62.6 -45.45 92.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 -60.24 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 3.9 mmt -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.97 93.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -94.13 -7.58 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 23.6 m -97.59 -175.41 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 914' ' ' SER . . . . . 0.422 ' HA ' HG23 ' A' ' 950' ' ' ILE . 11.7 p -131.67 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -84.58 43.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.71 170.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 9.4 m -108.27 140.98 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -49.46 -48.96 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 15.4 t -47.97 -63.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -45.22 -51.66 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 922' ' ' ARG . 19.6 m -57.55 -65.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 921' ' ' THR . 11.4 ttt85 -36.75 -48.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -52.84 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.7 m -43.89 -36.52 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.461 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 16.7 mt -83.43 -45.0 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 925' ' ' LEU . 17.2 mtp85 -36.31 -52.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -64.68 -39.25 93.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 925' ' ' LEU . 22.9 t0 -51.89 140.5 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -64.69 -54.33 33.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 931' ' ' TRP . 63.1 mtt180 -42.62 -50.83 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.547 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -37.8 -44.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -41.15 -58.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 18.9 m -54.84 -36.92 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.43 -13.4 3.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 12.4 t -39.72 -44.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.681 HD12 ' HB2' ' A' ' 899' ' ' ALA . 16.9 mt -40.92 -43.99 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.57 174.18 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.65 165.28 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -49.31 -25.62 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.47 -47.28 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.517 ' O ' HD12 ' A' ' 945' ' ' LEU . 6.6 mm-40 -70.11 -34.45 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.547 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 45.5 mttm -70.55 -44.01 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -68.78 -51.04 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -58.66 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 941' ' ' GLU . 27.9 mt -50.94 -49.14 60.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.401 ' CD1' HG21 ' A' ' 921' ' ' THR . 38.8 t80 -53.14 -60.61 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -48.44 -44.94 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.17 -47.25 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.682 ' NE2' HD11 ' A' ' 953' ' ' LEU . 22.4 t60 -56.3 -46.13 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 914' ' ' SER . 27.0 mm -59.65 -41.66 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.04 -47.95 80.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.39 85.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.682 HD11 ' NE2' ' A' ' 949' ' ' HIS . 81.1 mt -51.17 -52.13 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 43.1 p -67.86 -61.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -40.33 -50.04 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.4 -59.08 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -41.64 -63.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 958' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 958' ' ' ARG . 12.5 mtp-105 -79.47 52.36 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.27 157.81 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 4.1 t -137.51 108.96 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 138.39 162.08 9.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -19.41 36.15 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.336 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 43.1 t -64.61 121.21 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 48.1 t -98.46 156.39 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 14.5 t -120.82 154.22 36.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 15.6 t -134.41 101.72 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -75.51 154.56 45.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 39.3 m -70.92 -50.62 32.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 61.2 p -154.97 169.53 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 83.35 108.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -46.4 108.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.86 -59.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -84.29 -30.61 25.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 891' ' ' ARG . 7.6 mtp-105 -89.39 44.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -54.25 -66.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -108.93 78.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -128.59 -43.01 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -36.98 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.63 ' HA ' HD13 ' A' ' 936' ' ' LEU . 47.5 ttt85 -84.26 -36.87 22.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.13 -45.02 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.31 -51.68 61.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.828 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -54.44 -49.39 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.3 -63.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -54.22 -49.78 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -59.84 -26.79 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.662 ' CE2' HD11 ' A' ' 907' ' ' LEU . 28.7 t80 -69.35 -66.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 904' ' ' LYS . . . . . 0.609 ' HD2' HD22 ' A' ' 945' ' ' LEU . 0.0 OUTLIER -46.5 -47.02 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.39 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.594 HD21 HD22 ' A' ' 925' ' ' LEU . 13.0 tp -62.72 -41.84 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.662 HD11 ' CE2' ' A' ' 903' ' ' PHE . 88.2 mt -59.84 -42.04 92.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 33.0 t -67.77 -34.21 76.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.03 -62.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 36.6 mmm -66.94 -48.44 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 1.022 HG21 HG23 ' A' ' 921' ' ' THR . 21.8 t -107.19 71.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 912' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 912' ' ' ARG . 6.4 tmm_? -82.69 -26.36 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 160.54 27.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 83.1 p -112.65 -8.81 13.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -104.39 46.85 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.528 HG21 HG13 ' A' ' 911' ' ' VAL . 3.5 m -123.76 147.46 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 20.3 p -92.62 159.52 15.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 17.6 t-105 -57.4 -54.87 41.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.1 t -41.2 -49.21 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.14 -61.34 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 921' ' ' THR . . . . . 1.022 HG23 HG21 ' A' ' 911' ' ' VAL . 89.1 m -42.16 -47.14 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -59.0 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -57.01 -15.25 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 66.4 m -87.04 -58.61 2.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.594 HD22 HD21 ' A' ' 906' ' ' LEU . 18.1 mt -63.75 -35.33 80.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -45.96 -60.09 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -59.79 -30.76 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.16 158.32 11.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -77.96 -55.11 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.2 mpt_? -38.38 -56.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.476 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 41.1 t-105 -34.56 -46.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -41.2 -59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.4 m -58.47 -39.98 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 934' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 935' ' ' SER . . . -55.41 -14.29 6.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 935' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 934' ' ' GLY . 3.6 m -36.99 -38.84 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.828 HD12 ' HB2' ' A' ' 899' ' ' ALA . 23.5 mt -42.03 -49.59 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.93 170.06 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -119.84 152.12 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 939' ' ' ARG . 3.6 tmm_? -39.92 -41.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.66 -55.06 37.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.476 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 67.3 mttt -59.11 -49.82 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -51.03 -59.15 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -54.09 -61.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.609 HD22 ' HD2' ' A' ' 904' ' ' LYS . 34.4 mt -38.8 -47.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 918' ' ' TRP . 19.5 t80 -59.89 -50.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.09 -49.25 74.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.46 -44.76 85.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.487 ' CE1' HD21 ' A' ' 953' ' ' LEU . 32.8 t60 -54.66 -55.65 27.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.666 ' HA ' HD12 ' A' ' 953' ' ' LEU . 16.5 mm -53.84 -67.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.1 -35.27 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.0 -51.06 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 950' ' ' ILE . 41.6 mt -38.81 -63.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 23.9 p -53.54 -56.51 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -38.08 -49.19 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 957' ' ' LYS . 15.0 mmmt -73.81 -57.81 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 956' ' ' LYS . 36.4 tttt -34.52 144.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -37.76 140.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 959' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 960' ' ' SER . 54.7 mm-40 -137.63 167.68 21.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 960' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 959' ' ' GLU . 20.4 m -34.79 -45.1 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -121.55 147.67 17.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.06 8.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.226 . . . . 0.0 112.369 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 2.6 m -169.19 138.46 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 30.4 p -55.52 170.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 55.9 p -117.69 131.39 56.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 69.5 m -98.98 169.34 9.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -179.2 -77.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 4.0 m -104.11 121.15 42.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 71.1 m -74.2 150.26 40.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -115.75 -179.36 18.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -104.69 38.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 12.5 mmt-85 -61.89 -58.94 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -126.7 100.77 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -109.13 -26.37 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -80.84 -39.79 25.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -94.24 40.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 897' ' ' GLU . 5.2 t-80 -116.28 41.23 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -80.69 -56.94 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -78.17 -40.54 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 897' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 894' ' ' HIS . 5.1 mm-40 -38.72 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.38 -43.46 23.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.686 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -62.44 -46.6 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.07 -63.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.29 -48.28 71.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.24 -51.26 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -50.42 -61.31 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 904' ' ' LYS . . . . . 0.431 ' HA ' HD12 ' A' ' 907' ' ' LEU . 6.5 mtmp? -44.87 -59.47 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -49.33 -40.65 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.506 ' CD2' HD22 ' A' ' 925' ' ' LEU . 20.9 tp -66.24 -44.17 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 925' ' ' LEU . 66.6 mt -55.71 -37.06 67.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 16.6 m -75.73 -38.99 58.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.14 -39.75 90.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.2 mmm -95.81 -52.86 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.971 HG21 HG23 ' A' ' 921' ' ' THR . 34.0 t -101.07 60.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -64.7 -27.99 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 175.85 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 93.9 p -124.27 -31.93 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.32 44.65 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.538 HG21 ' CG1' ' A' ' 911' ' ' VAL . 34.0 m -107.95 168.76 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 10.4 t -102.21 151.49 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.56 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 3.6 t-105 -54.42 -52.51 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 10.5 t -55.08 -57.81 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -43.79 -50.05 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.971 HG23 HG21 ' A' ' 911' ' ' VAL . 88.0 m -57.96 -52.83 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.56 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 34.4 ttt-85 -44.29 -62.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 923' ' ' ARG . . . . . 0.405 ' HB2' ' NH2' ' A' ' 926' ' ' ARG . 47.9 ttt180 -54.54 -51.63 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 56.0 m -43.03 -37.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 907' ' ' LEU . 26.1 mt -87.39 -41.25 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 923' ' ' ARG . 50.9 mtm180 -46.95 -52.95 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -35.0 78.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.61 168.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 929' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 930' ' ' ARG . 2.7 m-70 -87.4 -57.08 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 931' ' ' TRP . 7.4 mpt_? -37.17 -41.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.563 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 21.8 t-105 -34.58 -46.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 932' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 931' ' ' TRP . 15.4 mt-10 -35.04 -62.28 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.1 m -61.76 -40.89 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.56 -14.73 3.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.3 m -47.49 -41.89 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 899' ' ' ALA . 38.9 mt -41.94 -46.39 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.22 137.16 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 940' ' ' GLU . 9.9 pt-20 -87.25 150.22 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.0 OUTLIER -36.11 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 940' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 938' ' ' GLU . 1.9 tp10 -69.88 -49.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 938' ' ' GLU . 3.9 mm-40 -58.88 -35.26 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.563 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 40.2 mttp -67.85 -50.05 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.0 -47.22 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -67.63 -64.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.32 -49.92 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 921' ' ' THR . 31.2 t80 -56.57 -51.84 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.31 -51.75 56.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.58 -50.3 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.57 ' HE1' ' O ' ' A' ' 911' ' ' VAL . 8.1 t-80 -50.05 -51.69 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 953' ' ' LEU . 14.6 mm -56.08 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -44.36 -44.75 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.66 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 950' ' ' ILE . 72.1 mt -50.33 -61.65 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 35.5 p -51.83 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -42.09 -53.77 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 957' ' ' LYS . 0.2 OUTLIER -51.02 -54.77 21.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 956' ' ' LYS . 66.6 tttt -36.24 -54.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -48.26 143.26 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -40.71 155.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 74.9 p -109.63 169.53 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -117.39 163.55 12.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.92 68.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 4.5 m -98.21 -41.52 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 21.7 m 44.49 27.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 57.0 m -143.17 168.68 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 78.5 p -125.67 -50.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 132.74 -126.53 4.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 20.6 m -91.3 162.85 14.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 43.1 m -113.59 43.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 168.29 142.51 3.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -90.38 -18.02 26.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 889' ' ' ARG . 18.4 ttp-105 -72.15 -21.63 61.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 890' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 894' ' ' HIS . 44.2 mt-10 -68.46 -8.76 43.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -62.88 -9.12 8.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.42 -48.39 34.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -110.94 32.95 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 890' ' ' GLU . 0.2 OUTLIER -119.52 41.81 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -82.82 -63.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 896' ' ' ARG . 19.9 ttp-105 -71.84 -42.92 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.19 -56.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -48.58 43.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -56.49 -43.79 80.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 98.4 mt -57.65 -64.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -54.68 -47.55 73.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -56.4 -40.02 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 907' ' ' LEU . 31.0 t80 -59.86 -54.62 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 904' ' ' LYS . . . . . 0.419 ' CE ' HD22 ' A' ' 945' ' ' LEU . 0.4 OUTLIER -50.05 -50.48 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.08 74.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.52 -33.26 74.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 903' ' ' PHE . 43.7 mt -69.12 -42.89 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.412 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 27.0 t -74.57 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.51 -42.7 70.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 16.2 mmm -95.61 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.594 HG21 HG23 ' A' ' 921' ' ' THR . 2.7 t -83.13 55.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.37 -20.84 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 2.9 m -84.52 167.75 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.2 p -123.92 11.27 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -111.55 37.44 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 911' ' ' VAL . 11.0 m -116.33 175.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 16.6 m -112.99 152.88 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -53.81 -56.06 20.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 9.0 m -44.6 -63.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -49.18 -39.17 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.594 HG23 HG21 ' A' ' 911' ' ' VAL . 98.8 m -65.63 -44.87 85.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.08 -51.25 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -67.64 -24.82 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 8.6 m -69.74 -50.41 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.535 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 22.1 mt -75.38 -45.55 38.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 45.9 mtp85 -36.8 -53.32 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -35.62 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 34.0 t70 -53.0 156.49 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.22 -60.27 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 931' ' ' TRP . 35.1 mtt85 -42.11 -52.68 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 925' ' ' LEU . 14.8 t-105 -36.49 -43.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 932' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 931' ' ' TRP . 16.1 tt0 -36.18 -61.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 12.0 m -53.95 -38.9 65.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 934' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -52.9 -14.45 2.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -46.57 -31.69 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 899' ' ' ALA . 32.4 mt -48.16 -42.86 30.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 937' ' ' LEU . . . . . 0.939 HD22 ' OE1' ' A' ' 941' ' ' GLU . 14.7 mt -67.3 175.79 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.8 pt-20 -122.14 148.46 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 33.0 mtt180 -35.33 -43.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.08 -59.88 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.939 ' OE1' HD22 ' A' ' 937' ' ' LEU . 8.3 tm-20 -53.05 -42.56 65.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -59.52 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -47.1 -48.67 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -57.92 -51.35 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.44 HD11 ' OE2' ' A' ' 941' ' ' GLU . 71.6 mt -51.36 -61.07 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.513 ' CD1' HG21 ' A' ' 921' ' ' THR . 21.5 t80 -46.44 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -42.18 -51.59 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -55.68 -45.21 77.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.437 ' NE2' HD11 ' A' ' 953' ' ' LEU . 68.2 t60 -56.79 -48.62 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.61 -52.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -56.37 -39.66 73.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.56 92.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.437 HD11 ' NE2' ' A' ' 949' ' ' HIS . 67.1 mt -61.95 -59.32 5.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 72.8 p -40.36 -46.02 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -72.27 -46.21 56.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 957' ' ' LYS . 8.3 tmtm? -49.56 -54.86 15.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 956' ' ' LYS . 20.8 tttp -34.98 134.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 958' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 957' ' ' LYS . 15.2 tpp180 -37.14 126.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -128.82 -179.59 5.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 5.8 m -46.56 -50.67 16.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -70.77 146.35 41.62 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 147.55 62.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 36.8 m -166.32 141.74 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 6.8 t -146.45 150.24 35.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.3 t -127.5 117.73 22.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 49.1 m -41.82 133.5 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 138.74 94.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 74.4 m -94.67 149.61 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.383 . . . . 0.0 110.819 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 41.4 p -88.08 142.3 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 147.75 93.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -43.13 -43.39 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -36.07 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 890' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 892' ' ' GLU . 69.1 mt-10 -81.28 -44.88 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -40.72 -26.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 892' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 890' ' ' GLU . 15.4 tm-20 -60.07 -66.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -76.81 -41.73 43.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -45.26 -37.15 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -58.41 -38.88 78.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 897' ' ' GLU . 46.4 ttp180 -77.45 -41.86 38.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 8.8 mm-40 -35.28 -65.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -41.56 -45.78 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.556 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.55 -43.7 93.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 76.9 mt -59.31 -60.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.89 -48.77 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -55.77 -41.44 74.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.729 ' CD2' HD13 ' A' ' 945' ' ' LEU . 28.8 t80 -58.84 -49.85 76.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -55.86 -50.07 71.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -55.95 -48.84 75.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 10.8 tp -55.87 -43.63 77.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.478 HD23 HD11 ' A' ' 925' ' ' LEU . 58.6 mt -56.53 -49.63 74.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.472 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 17.1 t -60.61 -55.95 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.82 -64.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 40.2 mmm -61.07 -58.25 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.473 HG21 HG23 ' A' ' 921' ' ' THR . 5.8 t -101.01 72.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -75.13 -23.11 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.9 m -77.85 167.97 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 91.3 p -128.58 17.38 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -115.06 33.44 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.73 171.59 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 68.8 m -108.56 156.68 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.49 ' CD1' ' HG3' ' A' ' 943' ' ' GLU . 23.2 t-105 -56.16 -68.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 919' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 918' ' ' TRP . 8.8 m -35.45 -62.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 9.7 t0 -49.25 -43.19 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.476 HG21 ' CD1' ' A' ' 946' ' ' PHE . 52.9 m -63.33 -42.09 98.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.466 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 17.0 ttt-85 -58.45 -52.59 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 923' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 8.8 ptp180 -58.0 -39.99 79.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 924' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' A' ' 923' ' ' ARG . 75.1 m -61.49 -68.12 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.478 HD11 HD23 ' A' ' 907' ' ' LEU . 61.8 mt -47.25 -47.41 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 925' ' ' LEU . 38.7 mtp180 -37.01 -66.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -43.76 -42.06 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 925' ' ' LEU . 17.7 t0 -43.69 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -91.11 -51.15 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.474 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 5.4 mpt_? -48.4 -44.18 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -38.85 -34.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -45.92 -53.22 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.7 m -65.06 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.19 -14.39 11.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.1 m -45.48 -38.1 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 899' ' ' ALA . 41.4 mt -41.29 -52.55 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 937' ' ' LEU . . . . . 0.403 ' O ' ' NZ ' ' A' ' 942' ' ' LYS . 14.8 mt -60.89 164.82 4.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.1 pt-20 -110.44 149.97 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 5.5 ttt180 -35.79 -43.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.35 -56.64 18.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -56.66 -44.27 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 937' ' ' LEU . 49.2 mttp -57.4 -59.14 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 943' ' ' GLU . . . . . 0.49 ' HG3' ' CD1' ' A' ' 918' ' ' TRP . 10.3 tt0 -51.78 -45.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -58.61 -47.53 84.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 903' ' ' PHE . 39.2 mt -54.43 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 950' ' ' ILE . 27.3 t80 -47.66 -62.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -41.52 -48.63 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -60.61 -42.49 96.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.513 ' NE2' HD11 ' A' ' 953' ' ' LEU . 48.5 t60 -58.83 -54.69 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 946' ' ' PHE . 38.4 mm -51.46 -53.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.87 -43.84 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.36 69.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.513 HD11 ' NE2' ' A' ' 949' ' ' HIS . 49.5 mt -66.75 -59.68 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 11.8 p -46.49 -50.68 16.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 955' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 956' ' ' LYS . 14.4 ttmt -67.36 -66.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 955' ' ' LYS . 15.2 mmmt -35.05 -52.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -40.45 132.64 2.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -97.32 88.6 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.48 85.88 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 12.7 t 52.5 41.49 30.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -79.02 150.17 33.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 97.19 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 17.6 t -78.04 91.55 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 3.1 m 58.6 41.81 21.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 31.5 p -37.77 129.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 67.1 m -103.54 -51.49 3.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -86.46 172.03 44.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 25.2 p -126.3 134.91 51.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 2.4 m -92.34 94.31 9.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -152.08 -159.62 9.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.05 115.78 3.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -118.85 -65.35 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -19.08 35.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -64.89 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -59.15 -34.84 72.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -118.79 45.44 2.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -97.42 37.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 895' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 895' ' ' LYS . 0.9 OUTLIER -81.19 -52.26 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.495 ' HA ' HD13 ' A' ' 936' ' ' LEU . 30.9 ttm-85 -81.92 -47.81 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 897' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 900' ' ' ILE . 18.0 mm-40 -35.16 -58.91 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -49.33 -45.83 45.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.551 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.5 -43.36 93.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 897' ' ' GLU . 72.5 mt -57.66 -62.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -56.46 -47.3 79.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -58.28 -43.0 87.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 907' ' ' LEU . 15.9 t80 -55.18 -57.37 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -59.93 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.15 -39.73 60.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.92 -38.21 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 903' ' ' PHE . 37.7 mt -68.26 -32.22 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 28.9 t -82.9 -26.92 31.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.71 -41.17 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 42.9 mmm -94.7 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.616 ' CG1' HG21 ' A' ' 916' ' ' VAL . 3.1 t -77.3 53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -62.26 -13.94 33.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 38.4 m -83.13 173.57 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.7 p -121.78 -35.39 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -80.61 47.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.616 HG21 ' CG1' ' A' ' 911' ' ' VAL . 30.4 m -112.97 168.67 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.5 m -107.42 147.31 30.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -59.51 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 4.8 t -46.93 -51.58 16.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.77 -54.8 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.592 ' CG2' HG21 ' A' ' 911' ' ' VAL . 48.0 m -61.81 -43.61 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -44.72 -58.9 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -62.62 -49.6 74.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 59.7 m -42.71 -51.42 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 928' ' ' ASP . 33.9 mt -67.31 -52.06 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.455 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 34.4 mtt180 -34.76 -55.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.99 -40.54 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 925' ' ' LEU . 29.3 t0 -50.13 172.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -89.26 -55.07 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 8.1 mpt_? -44.43 -49.75 9.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.455 ' CD1' ' HA ' ' A' ' 926' ' ' ARG . 21.4 t-105 -35.89 -39.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.64 -55.37 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 10.3 m -67.46 -36.66 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.69 -13.52 6.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 935' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 936' ' ' LEU . 9.0 m -40.8 -43.95 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 899' ' ' ALA . 30.9 mt -36.79 -50.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.67 127.23 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 941' ' ' GLU . 7.6 pt-20 -77.5 154.2 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 4.7 ttm105 -36.8 -43.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -49.18 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 938' ' ' GLU . 8.6 mm-40 -61.83 -43.73 98.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.427 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 35.8 mttm -61.95 -41.69 98.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.69 -55.07 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -59.8 -56.46 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -46.52 -53.77 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.495 ' CE1' HD11 ' A' ' 950' ' ' ILE . 28.8 t80 -51.12 -58.63 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -48.02 -47.8 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.31 -44.19 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 73.9 t60 -60.98 -52.42 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 946' ' ' PHE . 42.9 mm -54.32 -65.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 951' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 11.4 pt-20 -46.96 -43.22 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -55.15 -45.14 75.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.33 -54.12 50.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 954' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 955' ' ' LYS . 32.3 p -64.56 -67.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 955' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 954' ' ' THR . 0.2 OUTLIER -34.85 -45.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -69.33 -59.82 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -47.3 124.64 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -119.75 164.85 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -47.83 109.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 4.1 m 59.93 43.95 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -101.97 158.04 18.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.53 21.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 49.3 m -147.78 170.89 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 90.3 p -87.52 171.35 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 62.6 p -104.14 101.12 10.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 80.6 p -170.36 153.95 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -156.85 47.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 86.9 p 42.3 42.59 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 23.1 m -84.86 94.63 8.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 50.6 -160.11 1.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.09 106.55 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 36.2 ttp85 -104.04 -43.79 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -113.09 -47.0 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -44.26 -24.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.6 -64.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -103.77 53.43 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.452 ' CG ' ' N ' ' A' ' 895' ' ' LYS . 2.9 p80 -82.09 -42.17 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 895' ' ' LYS . . . . . 0.452 ' N ' ' CG ' ' A' ' 894' ' ' HIS . 30.4 mmtm -39.82 -39.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.487 ' HA ' HD13 ' A' ' 936' ' ' LEU . 20.6 ttp180 -79.59 -46.36 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.36 -51.54 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -50.15 -54.6 19.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -51.98 -46.83 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.22 -67.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.56 -53.02 33.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -53.93 -35.46 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.518 ' HD2' HD13 ' A' ' 945' ' ' LEU . 13.1 t80 -62.34 -53.66 51.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 904' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' A' ' 907' ' ' LEU . 58.4 mttt -53.01 -55.34 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.98 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.11 -45.85 91.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 904' ' ' LYS . 48.5 mt -54.86 -41.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 29.5 t -67.63 -43.49 80.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.72 -63.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 910' ' ' MET . . . . . 0.41 ' CE ' HG22 ' A' ' 924' ' ' THR . 8.9 mmm -60.87 -45.67 93.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.4 t -107.44 88.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -87.48 -9.9 53.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.3 m -99.1 -176.61 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 914' ' ' SER . . . . . 0.413 ' HA ' HG23 ' A' ' 950' ' ' ILE . 74.4 p -127.18 -30.99 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.67 45.18 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.469 HG23 ' HZ ' ' A' ' 946' ' ' PHE . 27.7 m -103.48 -176.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.4 m -124.95 134.32 52.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.448 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.6 t-105 -42.93 -54.15 4.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 78.3 p -50.65 -59.53 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -43.56 -54.34 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 924' ' ' THR . 74.4 m -52.53 -63.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.448 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 10.3 ttt-85 -39.56 -48.76 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -62.22 -34.01 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 924' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 921' ' ' THR . 39.5 m -71.6 -47.08 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 928' ' ' ASP . 21.2 mt -67.57 -48.94 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 925' ' ' LEU . 24.4 mtp180 -34.53 -56.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.47 -39.58 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.4 t70 -44.61 160.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -86.05 -55.87 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -48.01 -32.73 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -44.27 -30.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.57 -55.62 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 p -59.18 -40.56 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.57 -14.17 3.41 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.3 m -49.14 -46.98 45.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.831 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 896' ' ' ARG . 40.8 mt -38.49 -52.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.36 177.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 939' ' ' ARG . 21.9 pt-20 -133.21 155.72 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 938' ' ' GLU . 11.7 ptm180 -35.19 -41.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.6 -55.61 32.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.03 -45.56 91.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -55.44 -50.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.55 -60.41 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -50.79 -59.75 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.518 HD13 ' HD2' ' A' ' 903' ' ' PHE . 21.1 mt -43.7 -47.62 7.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 950' ' ' ILE . 54.1 t80 -54.81 -56.64 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.03 -48.0 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.59 -55.11 32.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 953' ' ' LEU . 23.0 t60 -46.35 -60.7 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.524 HD11 ' CE1' ' A' ' 946' ' ' PHE . 16.7 mm -46.44 -54.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -53.66 -39.17 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.95 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 949' ' ' HIS . 60.5 mt -53.15 -55.51 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 954' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 955' ' ' LYS . 26.2 p -50.92 -63.77 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 955' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 954' ' ' THR . 13.2 tmtt? -34.8 -60.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 956' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 957' ' ' LYS . 24.7 mmtt -51.93 -45.88 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 956' ' ' LYS . 16.3 tttp -36.78 -45.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -57.1 11.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -109.56 97.01 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 35.7 m -76.07 158.45 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -134.85 -168.16 11.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 116.95 4.79 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 23.7 m -104.39 138.3 41.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 26.4 p -111.75 116.42 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.443 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 61.2 m -109.95 145.16 37.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.0 m -115.75 149.04 39.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 884' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 885' ' ' SER . . . 136.7 56.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.432 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 885' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 884' ' ' GLY . 12.7 t -34.73 145.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.84 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 66.4 m 50.73 36.11 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -84.11 169.72 46.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -78.45 -46.99 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -51.63 -41.13 61.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 890' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 893' ' ' GLN . 56.3 mt-10 -74.56 -62.13 1.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 890' ' ' GLU . 23.4 mmm-85 -35.96 -45.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.15 -43.57 81.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 893' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 890' ' ' GLU . 19.9 tt0 -105.21 42.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 895' ' ' LYS . 5.1 p-80 -93.27 -50.78 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 895' ' ' LYS . . . . . 0.579 ' N ' ' CG ' ' A' ' 894' ' ' HIS . 9.0 mmmm -38.36 -40.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' A' ' 936' ' ' LEU . 28.6 ttm-85 -74.98 -42.75 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 897' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 900' ' ' ILE . 8.9 mm-40 -47.56 -61.54 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -48.71 -41.78 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 98.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 897' ' ' GLU . 76.3 mt -55.74 -59.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -56.71 -56.33 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -52.02 -41.8 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.486 ' HD2' HD13 ' A' ' 945' ' ' LEU . 36.2 t80 -56.56 -56.16 24.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.15 -55.21 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.23 -41.03 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.6 -37.34 86.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 903' ' ' PHE . 67.6 mt -65.83 -36.6 83.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 10.2 t -81.87 -29.7 32.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.9 -39.65 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 35.9 mmm -96.44 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.802 HG21 HG23 ' A' ' 921' ' ' THR . 11.8 t -84.53 73.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -84.77 -7.51 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 33.2 t -82.74 159.21 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 62.2 p -117.3 6.63 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -115.25 45.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.17 172.25 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 t -122.14 158.18 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 919' ' ' SER . 27.9 t-105 -41.4 -59.98 1.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 919' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 918' ' ' TRP . 6.7 m -35.64 -69.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.34 -47.79 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.802 HG23 HG21 ' A' ' 911' ' ' VAL . 23.4 m -58.85 -66.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 921' ' ' THR . 63.9 ttt180 -35.22 -51.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 923' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 923' ' ' ARG . 14.1 mtp-105 -63.86 -61.65 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 94.9 m -39.5 -42.13 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 928' ' ' ASP . 19.3 mt -74.31 -44.92 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -43.11 -30.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -80.93 -32.94 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 8.5 t70 -60.09 165.9 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 929' ' ' HIS . . . . . 0.43 ' N ' ' CG ' ' A' ' 928' ' ' ASP . 2.6 t-80 -88.16 -49.66 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.422 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 0.1 OUTLIER -52.81 -31.23 37.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -41.94 -31.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.71 -49.92 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 93.3 p -65.56 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -59.04 -14.46 24.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.2 m -52.02 -42.95 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 896' ' ' ARG . 27.5 mt -41.98 -40.99 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.4 mt -77.54 118.53 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -60.18 155.52 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -44.32 -36.79 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -66.34 -41.6 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -71.32 -35.46 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -65.62 -52.6 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.82 -54.48 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -56.77 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.486 HD13 ' HD2' ' A' ' 903' ' ' PHE . 34.4 mt -49.45 -53.3 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.73 -55.7 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -46.99 -44.41 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.14 -54.54 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.912 ' CE1' HD11 ' A' ' 953' ' ' LEU . 61.8 t60 -44.25 -53.4 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.52 -54.85 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -17.15 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -88.25 -35.42 17.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.912 HD11 ' CE1' ' A' ' 949' ' ' HIS . 19.4 mt -79.52 -9.47 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 19.8 p -88.18 -51.66 5.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -65.42 -31.15 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -30.04 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -43.8 133.55 4.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 71.0 mtm-85 -56.74 -49.6 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 959' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 960' ' ' SER . 8.8 tp10 -62.93 92.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 960' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 959' ' ' GLU . 5.2 m -35.53 143.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 170.11 64.05 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -39.6 6.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 14.4 m 43.92 42.43 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 4.6 m -64.62 121.43 14.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 72.5 m -155.51 120.99 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 37.4 t -145.6 120.26 9.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -174.83 129.74 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 26.2 m -101.73 163.69 12.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 30.5 t -135.07 152.23 51.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 45.58 -144.29 3.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.28 41.2 2.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -59.16 -59.2 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.14 -62.74 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -60.67 93.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -98.38 -50.01 4.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -115.09 43.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.424 ' CG ' ' N ' ' A' ' 895' ' ' LYS . 8.0 p-80 -76.2 -40.08 53.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 895' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 894' ' ' HIS . 19.6 mmtm -38.58 -36.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -88.23 -45.34 10.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 897' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 900' ' ' ILE . 7.9 mm-40 -38.83 -63.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -41.05 -48.25 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.724 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -61.08 -46.87 88.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 897' ' ' GLU . 88.9 mt -53.39 -65.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -51.18 -52.68 41.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -50.62 -40.88 54.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.491 ' HD2' HD13 ' A' ' 945' ' ' LEU . 21.8 t80 -60.83 -58.32 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -49.22 -51.28 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.9 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.44 -41.56 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.93 -48.85 77.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 26.1 t -68.42 -50.19 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.58 -60.52 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.1 mmm -72.98 -57.32 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.784 HG21 HG23 ' A' ' 921' ' ' THR . 5.5 t -97.05 82.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 912' ' ' ARG . . . . . 0.452 ' O ' HD13 ' A' ' 953' ' ' LEU . 20.2 ptp180 -93.3 -11.52 32.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.3 t -79.45 174.05 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 68.6 p -117.95 -22.72 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -91.77 45.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.779 HG21 ' CG1' ' A' ' 911' ' ' VAL . 18.9 m -117.87 143.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 49.3 m -93.26 152.71 19.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.08 -37.81 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.0 m -67.16 -49.38 64.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.84 -43.37 63.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.784 HG23 HG21 ' A' ' 911' ' ' VAL . 91.6 m -69.76 -56.61 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 921' ' ' THR . 46.9 ttt180 -37.28 -55.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.51 -50.0 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 88.5 m -48.99 -42.02 36.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 928' ' ' ASP . 78.5 mt -75.33 -44.81 43.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 925' ' ' LEU . 52.0 mtp85 -37.02 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -65.28 -41.76 93.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 925' ' ' LEU . 36.1 t70 -54.14 169.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -97.19 -50.35 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 931' ' ' TRP . 24.6 mtt180 -42.01 -44.91 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.433 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.3 t-105 -34.92 -43.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -39.53 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 13.3 p -60.7 -39.16 87.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.3 -14.43 4.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.9 t -52.41 -44.41 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' A' ' 899' ' ' ALA . 26.8 mt -39.03 -47.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.23 179.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 939' ' ' ARG . 10.1 pt-20 -124.4 151.47 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 938' ' ' GLU . 15.3 ttm180 -35.45 -46.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.12 -56.15 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.45 -46.31 83.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -56.48 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -54.79 -51.93 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -51.15 -57.59 8.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.491 HD13 ' HD2' ' A' ' 903' ' ' PHE . 41.4 mt -46.3 -56.47 5.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.427 ' HE1' HG11 ' A' ' 911' ' ' VAL . 50.6 t80 -51.01 -62.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -43.68 -42.33 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.1 -47.5 82.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.615 ' NE2' HD11 ' A' ' 953' ' ' LEU . 51.5 t60 -51.85 -56.75 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 22.2 mm -53.8 -54.75 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -50.57 -29.32 10.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -75.12 -56.26 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.615 HD11 ' NE2' ' A' ' 949' ' ' HIS . 87.6 mt -49.54 -34.32 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 30.9 p -77.53 -61.13 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -42.48 -57.51 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -46.36 -55.57 7.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -52.02 109.32 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -136.71 116.07 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.43 89.98 3.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 96.2 p -166.35 148.96 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -109.19 161.72 13.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.555 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.33 5.62 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 74.1 m -47.7 -53.28 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 55.9 p 39.41 42.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 47.5 t -78.67 104.29 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 2.9 m -81.56 127.69 33.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -149.21 -177.56 23.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 74.3 m -146.47 111.71 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 3.2 m -38.93 -60.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -65.43 -136.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -122.2 113.09 18.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 -46.01 4.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -80.18 -47.58 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -50.08 -53.88 24.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 892' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 893' ' ' GLN . 6.6 pt-20 -49.41 -37.01 23.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 893' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 892' ' ' GLU . 36.2 mt-30 -107.4 37.72 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 898' ' ' GLU . 2.4 t-80 -93.05 39.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -79.59 -55.64 4.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -89.78 -43.92 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.07 -49.09 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 898' ' ' GLU . . . . . 0.426 ' HB3' ' ND1' ' A' ' 894' ' ' HIS . 3.0 pp20? -51.79 -43.46 63.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -62.68 -40.77 98.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.77 -55.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -62.92 -40.33 97.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -64.11 -63.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 907' ' ' LEU . 39.8 t80 -47.4 -55.2 9.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.84 -63.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -46.73 -38.03 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.9 tp -69.53 -29.91 67.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' A' ' 903' ' ' PHE . 81.0 mt -70.31 -42.03 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.548 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 48.0 t -74.81 -29.04 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.32 -41.87 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 76.9 mmm -84.47 -41.92 16.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 921' ' ' THR . 4.6 t -100.55 79.91 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -77.71 -14.76 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -99.71 176.53 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 95.1 p -125.89 -26.98 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.87 44.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.449 HG23 ' HZ ' ' A' ' 946' ' ' PHE . 14.1 m -114.2 179.02 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.4 t -115.76 154.2 30.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.43 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 11.4 t-105 -55.4 -47.51 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 80.8 p -56.6 -57.9 10.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -53.02 5.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.448 HG23 ' CG2' ' A' ' 911' ' ' VAL . 86.7 m -63.09 -57.0 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.43 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 12.0 ttt180 -38.79 -61.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -56.49 -40.7 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 90.2 m -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 907' ' ' LEU . 15.0 mt -66.5 -51.22 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -38.14 -44.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -42.69 99.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 12.4 t70 -51.33 167.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 929' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 10.3 t-160 -86.38 -52.78 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 1.9 mpt_? -44.23 -40.36 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 930' ' ' ARG . 21.5 t-105 -37.53 -41.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -43.12 -50.33 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 7.4 m -71.84 -28.84 63.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.72 -12.82 29.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 29.8 m -48.2 -45.17 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.468 HD12 ' HB2' ' A' ' 899' ' ' ALA . 25.2 mt -37.35 -50.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.83 125.91 28.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.6 pt-20 -76.36 149.54 36.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 73.6 mtm180 -35.79 -49.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.67 -48.34 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.03 -40.42 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -60.45 -54.16 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.96 -49.99 62.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.16 -51.32 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.4 mt -56.63 -55.89 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.449 ' HZ ' HG23 ' A' ' 916' ' ' VAL . 86.9 t80 -47.56 -55.25 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -49.22 -50.79 36.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.38 -45.3 88.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 13.5 t60 -52.41 -56.52 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 40.2 mm -51.76 -51.62 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -42.1 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 70.4 mt -44.79 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 70.9 p -53.16 -49.93 65.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -48.39 -45.15 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -59.32 -48.03 83.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -49.04 138.32 11.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -85.61 -55.21 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -43.9 118.41 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 8.4 t -139.16 158.01 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 149.94 83.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.84 3.03 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 4.6 m -42.28 102.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 7.5 t -57.94 -42.57 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.1 t -88.4 87.03 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 13.3 t -136.35 110.47 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 49.08 64.28 3.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 80.0 p -142.2 156.02 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 13.8 m -75.7 -55.77 5.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 103.96 63.95 0.68 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -83.97 90.1 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -44.56 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -119.83 19.6 12.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 52.1 mmt-85 -105.46 40.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -96.14 -55.99 2.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -102.43 41.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -103.76 39.88 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -77.86 -49.98 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -87.39 -39.43 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -41.66 -51.2 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 898' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 899' ' ' ALA . 7.9 pt-20 -50.66 -42.77 56.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.79 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -63.77 -50.86 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 65.6 mt -51.53 -69.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -50.05 -49.45 51.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 898' ' ' GLU . 94.0 m-20 -53.09 -44.3 67.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.435 ' CD2' HD12 ' A' ' 937' ' ' LEU . 23.1 t80 -56.92 -52.84 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -50.05 -60.83 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.63 -30.02 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.53 -45.82 64.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.56 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 35.4 t -66.14 -50.47 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -59.23 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 98.0 mmm -62.07 -44.47 96.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 6.6 t -106.2 90.23 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -89.1 -2.13 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 47.2 m -106.25 172.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 17.2 p -123.25 -11.89 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.86 48.64 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 19.6 m -112.43 -177.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.5 m -119.78 140.03 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.416 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 13.0 t-105 -44.6 -67.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 919' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 920' ' ' ASP . 82.1 p -41.65 -59.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 920' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 919' ' ' SER . 1.1 m-20 -37.72 -63.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 3.5 m -59.39 -38.21 79.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -48.11 -50.76 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -69.86 -45.89 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 55.5 m -46.77 -45.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.78 -36.13 57.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -49.72 -41.88 44.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -73.89 -27.45 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.11 160.89 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.05 -52.99 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.5 mtt85 -42.54 -49.97 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 934' ' ' GLY . 7.7 t-105 -36.82 -43.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -38.99 -61.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 4.4 m -66.55 -21.98 66.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 934' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -68.71 -10.09 60.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 5.3 m -45.75 -40.03 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.876 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' A' ' 899' ' ' ALA . 39.7 mt -37.38 -49.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 937' ' ' LEU . . . . . 0.793 HD22 ' HG2' ' A' ' 941' ' ' GLU . 17.0 mt -68.53 152.8 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.2 pt-20 -106.96 151.69 24.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 938' ' ' GLU . 16.2 ptt180 -34.91 -45.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.99 -53.79 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 941' ' ' GLU . . . . . 0.793 ' HG2' HD22 ' A' ' 937' ' ' LEU . 3.7 tp10 -60.54 -54.43 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 903' ' ' PHE . 31.7 mttm -46.8 -56.66 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.94 -53.23 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -45.54 -47.29 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 946' ' ' PHE . 26.5 mt -62.37 -66.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 946' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 945' ' ' LEU . 43.2 t80 -36.98 -33.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 947' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 945' ' ' LEU . 23.1 m-20 -70.63 -56.76 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 948' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 5.7 pt-20 -53.7 -47.26 70.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.616 ' CE1' HD11 ' A' ' 953' ' ' LEU . 14.2 t60 -56.92 -64.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 16.4 mm -41.9 -56.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 951' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 5.1 pt-20 -62.01 -31.83 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -66.69 -24.42 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.616 HD11 ' CE1' ' A' ' 949' ' ' HIS . 54.4 mt -75.31 -41.55 56.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 954' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 955' ' ' LYS . 1.1 p -65.36 -65.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 955' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 954' ' ' THR . 10.9 ttpp -34.67 -46.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -56.24 -55.71 29.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -52.33 156.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -102.25 123.11 45.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -93.51 115.95 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 6.3 t -53.63 145.64 14.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 117.85 -94.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.431 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 80.1 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 1.3 t -106.65 53.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 60.4 p -48.86 176.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 68.8 m -100.88 107.08 18.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.815 0.34 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 23.9 m -88.46 148.78 24.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 150.31 -126.52 2.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 8.1 t -60.99 123.59 18.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 55.4 m -133.39 135.48 44.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -129.52 -87.66 0.5 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -96.63 48.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -102.38 -48.56 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 890' ' ' GLU . . . . . 0.459 ' HG2' ' CE1' ' A' ' 894' ' ' HIS . 11.3 tt0 -59.02 -17.56 26.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -79.2 -15.53 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -71.07 -29.2 65.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -114.59 34.89 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 894' ' ' HIS . . . . . 0.459 ' CE1' ' HG2' ' A' ' 890' ' ' GLU . 6.9 m170 -120.56 -38.61 2.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -52.89 -43.55 66.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -71.52 -47.4 55.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -44.18 -48.97 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.53 -46.01 57.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.83 -48.06 83.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.39 -66.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -45.88 -52.13 11.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -56.2 -36.55 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.423 ' HD2' HD13 ' A' ' 945' ' ' LEU . 13.5 t80 -68.18 -46.8 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -52.27 -56.12 16.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.95 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 910' ' ' MET . 12.1 tp -58.88 -36.54 74.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 903' ' ' PHE . 67.0 mt -64.13 -45.46 88.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 42.5 t -70.66 -53.36 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.56 -47.43 70.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 910' ' ' MET . . . . . 0.428 ' HG2' HD12 ' A' ' 906' ' ' LEU . 98.5 mmm -75.69 -40.6 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.76 78.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.56 -18.18 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 913' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 953' ' ' LEU . 63.5 m -94.03 178.01 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 914' ' ' SER . . . . . 0.411 ' HA ' HG23 ' A' ' 950' ' ' ILE . 90.1 p -125.75 -35.65 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -80.85 46.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 30.7 m -103.66 -176.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 19.3 m -113.34 144.39 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.51 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 6.9 t-105 -57.82 -54.47 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 70.8 m -50.08 -52.21 36.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -50.58 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 56.9 m -57.75 -59.4 5.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 922' ' ' ARG . . . . . 0.51 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 51.3 ttt180 -39.77 -50.85 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -69.47 -35.19 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 41.2 m -65.44 -31.08 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.42 -30.08 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.95 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -42.21 15.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 7.6 t70 -51.36 164.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 929' ' ' HIS . . . . . 0.499 ' CD2' ' HD2' ' A' ' 930' ' ' ARG . 1.4 p-80 -87.69 -43.73 11.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.499 ' HD2' ' CD2' ' A' ' 929' ' ' HIS . 1.1 mpt_? -42.64 -45.83 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.516 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -45.41 -40.37 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 932' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 931' ' ' TRP . 28.5 mm-40 -35.6 -53.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 3.1 m -72.89 -32.74 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 934' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -57.05 -11.81 6.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 30.0 m -45.29 -43.55 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 899' ' ' ALA . 39.0 mt -39.26 -43.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 23.8 mt -72.81 157.64 37.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.41 163.59 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -43.5 -32.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 940' ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' A' ' 939' ' ' ARG . 6.7 tt0 -69.31 -46.95 65.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.34 -45.22 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.516 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 52.1 mttt -61.44 -51.51 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -57.55 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -58.35 -54.83 42.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 945' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 903' ' ' PHE . 25.1 mt -47.75 -47.08 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -56.78 -67.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -38.93 -45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -61.66 -52.68 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 24.4 t60 -49.84 -56.13 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.411 HG23 ' HA ' ' A' ' 914' ' ' SER . 10.9 mm -50.7 -59.6 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -46.5 -36.44 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -65.9 -49.4 68.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 913' ' ' SER . 60.1 mt -45.74 -56.12 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 954' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 955' ' ' LYS . 45.4 p -64.05 -59.03 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 955' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 954' ' ' THR . 23.2 tttm -34.49 -51.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -60.95 -51.55 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 958' ' ' ARG . 15.2 tttm -43.7 105.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 958' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 957' ' ' LYS . 2.1 mpt_? -37.54 144.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -123.59 102.69 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 4.3 m -48.23 -52.63 20.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 178.28 153.86 11.86 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 140.54 42.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 22.7 t -84.21 103.75 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 65.2 p -85.49 133.52 34.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 68.3 p -88.2 144.49 26.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 10.8 m -59.37 104.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 138.34 58.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 53.8 p -52.26 177.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 42.9 m -116.32 -43.75 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 145.98 -58.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -96.48 41.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.327 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -83.37 -45.94 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -66.19 -47.84 72.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -86.37 83.75 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -90.89 -58.37 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -99.41 40.8 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -106.16 41.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -65.7 -54.32 28.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 897' ' ' GLU . 13.7 ttp-105 -87.26 -44.19 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 897' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 900' ' ' ILE . 28.7 mp0 -37.54 -56.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -46.64 -48.53 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.511 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -61.75 -43.68 98.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 900' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 897' ' ' GLU . 94.7 mt -54.29 -60.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -56.88 -50.65 71.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.89 -42.71 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 907' ' ' LEU . 22.5 t80 -59.06 -48.58 81.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -53.71 -56.32 18.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.74 82.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.497 HD21 HD22 ' A' ' 925' ' ' LEU . 13.2 tp -65.31 -31.96 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 903' ' ' PHE . 56.4 mt -70.2 -47.01 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 73.5 m -63.63 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.09 -65.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.0 mmm -60.55 -37.14 80.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.99 HG21 HG23 ' A' ' 921' ' ' THR . 16.4 t -122.73 78.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -89.43 -18.79 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 25.6 t -73.98 160.06 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 90.0 p -112.24 -6.59 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -102.79 46.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.445 HG21 HG13 ' A' ' 911' ' ' VAL . 12.2 m -130.33 141.72 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 50.6 m -94.02 168.3 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 918' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 919' ' ' SER . 24.6 t-105 -52.42 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 919' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 918' ' ' TRP . 16.2 m -34.57 -51.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -61.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.99 HG23 HG21 ' A' ' 911' ' ' VAL . 79.1 m -57.78 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.23 -56.51 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -61.26 -37.59 83.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 39.3 m -56.21 -55.33 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.497 HD22 HD21 ' A' ' 906' ' ' LEU . 26.9 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -41.97 -33.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 927' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 927' ' ' LYS . 3.0 mmpt? -79.95 -44.26 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 19.8 t0 -52.57 149.32 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 929' ' ' HIS . . . . . 0.436 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 2.1 m-70 -72.03 -40.79 68.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 931' ' ' TRP . 9.7 mpt_? -53.45 -48.87 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 930' ' ' ARG . 14.0 t-105 -36.67 -37.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -46.28 -61.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 m -57.7 -38.84 75.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.76 -14.31 5.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -43.77 -36.28 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 899' ' ' ALA . 48.5 mt -41.86 -46.46 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.63 163.69 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.29 155.05 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -42.3 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 940' ' ' GLU . . . . . 0.43 ' N ' ' HG2' ' A' ' 939' ' ' ARG . 25.9 tt0 -74.49 -49.01 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -64.94 -35.55 81.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.09 -53.91 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 943' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 943' ' ' GLU . 1.2 tm-20 -54.22 -41.75 69.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.44 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 23.1 mt -47.34 -42.9 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.24 -53.86 53.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.62 -56.02 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -46.43 -44.91 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 953' ' ' LEU . 31.7 t60 -57.61 -55.7 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.89 -63.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.5 -30.93 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 952' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -69.41 -38.19 77.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 949' ' ' HIS . 22.8 mt -67.07 -44.9 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 44.0 p -60.04 -29.86 68.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -80.88 -64.67 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.17 -42.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -64.06 102.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 146.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -111.71 -61.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 1.3 t -159.29 120.81 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 142.4 146.21 4.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 96.04 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.377 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 54.1 p 43.1 43.02 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 3.4 t -84.21 -58.12 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 28.1 m -114.87 154.22 29.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 68.7 m -119.96 141.27 49.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -142.53 147.94 19.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 41.0 t -137.96 145.45 42.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 84.1 p -82.0 145.95 29.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 166.48 -47.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -118.96 41.16 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -100.83 -58.17 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -73.45 -50.1 23.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -49.85 -48.73 50.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.75 -44.75 96.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -96.92 39.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -108.41 -54.52 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -38.05 -45.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.479 ' HA ' HD13 ' A' ' 936' ' ' LEU . 23.1 ttm180 -68.56 -49.4 59.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.36 -50.72 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -65.37 -38.71 90.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 86.4 mt -58.7 -56.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.89 -47.72 79.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -54.66 -43.36 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.66 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -48.09 -59.16 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.19 65.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.37 -36.26 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 925' ' ' LEU . 47.0 mt -61.13 -49.96 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 908' ' ' SER . . . . . 0.421 ' HA ' ' NE2' ' A' ' 949' ' ' HIS . 28.4 t -63.03 -50.77 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.3 -61.89 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 910' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' A' ' 925' ' ' LEU . 14.9 mmm -61.98 -31.92 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 921' ' ' THR . 4.2 t -127.12 89.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -95.41 -7.1 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 43.2 t -86.2 163.08 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 914' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 950' ' ' ILE . 87.8 p -118.46 -1.6 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -116.07 48.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 6.5 m -123.57 157.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.7 t -100.41 147.81 25.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -47.11 -48.12 23.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.3 m -43.86 -57.17 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.61 -47.33 79.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.727 HG23 HG21 ' A' ' 911' ' ' VAL . 95.8 m -54.89 -45.57 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -60.81 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -27.61 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 52.7 m -70.93 -61.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 928' ' ' ASP . 40.5 mt -61.17 -47.42 86.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 926' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 925' ' ' LEU . 28.3 mtp85 -35.74 -49.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -58.94 -42.43 89.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.6 t0 -58.89 145.18 42.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -66.88 -44.1 81.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 5.7 mmt-85 -45.37 -53.14 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 20.7 t-105 -37.39 -42.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -42.98 -49.94 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 16.0 m -67.95 -37.07 81.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.12 -14.45 11.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 935' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' LEU . 39.5 t -42.2 -40.96 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 899' ' ' ALA . 35.9 mt -37.38 -49.97 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.19 147.46 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 938' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.9 pt-20 -93.5 146.77 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 939' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.0 OUTLIER -34.99 -47.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.69 -52.74 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.03 -44.62 96.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 942' ' ' LYS . . . . . 0.42 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 60.7 mttm -57.56 -53.86 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.65 -45.87 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -54.84 -50.4 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 37.3 mt -55.64 -52.22 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -53.66 -57.79 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -48.36 -41.51 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.68 -42.84 73.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' ' HA ' ' A' ' 908' ' ' SER . 47.9 t60 -55.74 -43.28 76.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 953' ' ' LEU . 51.4 mm -66.99 -49.02 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -31.19 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -72.39 -53.46 12.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 950' ' ' ILE . 45.0 mt -38.94 -50.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 82.2 p -65.55 -45.0 85.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -55.64 -54.29 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -59.55 -51.48 69.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -56.33 161.36 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -66.4 118.11 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.64 133.67 55.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 3.3 m 47.84 33.12 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -86.54 -93.66 0.88 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -179.04 2.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.317 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 91.0 p -166.47 178.52 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 71.8 m -136.91 165.95 24.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.51 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 59.4 p -127.39 95.5 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 67.1 p -109.16 87.11 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -165.8 175.52 41.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.425 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 68.2 m -112.23 122.83 48.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 74.1 m -38.78 -59.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -85.65 -167.27 43.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 888' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 888' ' ' ASP . 6.9 p-10 -107.46 99.39 8.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -96.5 -45.23 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 890' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 891' ' ' ARG . 14.0 tt0 -88.47 -57.42 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 890' ' ' GLU . 37.8 mmt-85 -35.6 -40.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.19 -48.89 44.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -104.03 40.76 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -100.69 -25.06 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -49.32 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 896' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 936' ' ' LEU . 51.8 ttt180 -67.95 -40.31 83.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.18 -33.63 53.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.32 -50.22 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 899' ' ' ALA . . . . . 0.881 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -58.35 -40.37 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.43 -65.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.01 -44.66 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 903' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 907' ' ' LEU . 37.3 t80 -56.99 -53.12 61.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -54.02 -48.12 70.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.26 90.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 906' ' ' LEU . . . . . 0.537 HD21 HD22 ' A' ' 925' ' ' LEU . 12.9 tp -58.04 -31.69 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 907' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 903' ' ' PHE . 51.9 mt -70.07 -56.3 7.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.8 t -62.58 -21.42 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.75 -65.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.1 mmm -71.03 -47.16 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 911' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 916' ' ' VAL . 59.2 t -98.98 62.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -74.7 -12.6 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 68.9 p -84.46 164.9 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 914' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 950' ' ' ILE . 92.0 p -122.26 9.14 9.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.43 39.59 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 916' ' ' VAL . . . . . 0.611 HG21 HG13 ' A' ' 911' ' ' VAL . 3.0 m -119.21 154.14 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.6 t -98.37 148.69 23.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -47.58 -45.68 27.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 26.7 p -51.34 -56.46 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -52.86 -39.17 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 921' ' ' THR . . . . . 0.57 HG23 HG21 ' A' ' 911' ' ' VAL . 20.3 m -67.56 -46.85 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -55.93 -36.38 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -82.58 -30.58 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 5.9 m -67.62 -46.52 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 925' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 906' ' ' LEU . 43.7 mt -70.43 -42.42 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -39.59 -50.58 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -30.14 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 928' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -60.79 168.54 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -46.0 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 930' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.4 mpt_? -50.01 -44.72 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 931' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 930' ' ' ARG . 31.5 t-105 -37.39 -41.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -46.62 -57.01 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.5 m -59.29 -39.02 81.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.85 -14.0 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.4 m -43.44 -45.0 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 936' ' ' LEU . . . . . 0.881 HD12 ' HB2' ' A' ' 899' ' ' ALA . 21.7 mt -39.75 -56.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.1 mt -60.24 163.14 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.37 159.7 15.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -46.28 -45.83 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.32 -57.85 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -50.76 -51.82 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -54.1 -55.13 30.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.84 -52.51 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -52.37 -52.78 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.03 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -39.46 -60.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -45.57 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.37 -46.24 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 949' ' ' HIS . . . . . 0.541 ' NE2' HD11 ' A' ' 953' ' ' LEU . 29.7 t60 -52.4 -52.13 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 950' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 953' ' ' LEU . 36.2 mm -58.33 -63.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 951' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 950' ' ' ILE . 75.5 mm-40 -38.32 -45.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.6 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 953' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 950' ' ' ILE . 75.6 mt -56.95 -55.31 36.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 29.4 p -65.42 -43.36 90.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 955' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 959' ' ' GLU . 0.5 OUTLIER -57.04 -38.16 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -7.77 58.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -99.48 -66.56 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -46.01 -27.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 959' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 955' ' ' LYS . 0.4 OUTLIER -101.32 118.21 36.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 74.3 p -69.52 -54.0 16.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -148.73 146.13 15.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.15 8.82 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 1.5 p -133.82 55.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 39.1 t -154.88 146.55 23.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.504 ' HA ' HD13 ' A' ' 936' ' ' LEU . 58.9 ttp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.75 0.31 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 48.3 mm-40 -36.23 -52.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -48.83 -46.3 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.86 -43.72 94.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.9 mt -55.26 -64.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.78 -46.25 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.41 -40.85 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -59.94 -52.8 63.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 907' ' ' LEU . 0.3 OUTLIER -53.93 -54.11 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.4 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.14 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 904' ' ' LYS . 75.1 mt -67.76 -43.04 80.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.496 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 46.5 t -68.39 -45.38 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.96 -58.66 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 74.4 mmm -67.99 -56.42 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 7.6 t -100.48 73.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -75.52 -21.27 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 4.8 m -86.17 170.08 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 950' ' ' ILE . 86.1 p -126.85 5.42 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.33 34.55 2.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.54 167.14 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.0 t -109.73 154.79 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 943' ' ' GLU . 37.3 t-105 -50.51 -61.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 918' ' ' TRP . 5.4 m -34.99 -69.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.56 -51.45 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 922' ' ' ARG . 21.0 m -53.21 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 921' ' ' THR . 20.8 ttt180 -38.32 -55.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.74 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 78.8 m -62.95 -47.92 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.8 -36.84 84.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -53.65 -25.51 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -84.69 -33.06 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.81 163.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -82.47 -57.43 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -46.75 -41.75 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -39.41 -42.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -56.17 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 15.2 m -67.79 -26.21 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.63 48.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 936' ' ' LEU . 45.1 t -41.78 -43.77 3.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 899' ' ' ALA . 35.8 mt -34.66 -55.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.61 118.78 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.8 pt-20 -62.84 153.24 33.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.4 OUTLIER -37.98 -50.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.52 -52.58 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 945' ' ' LEU . 5.4 tm-20 -53.04 -52.27 59.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -56.52 -54.79 41.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . 0.486 ' HG3' ' CD2' ' A' ' 918' ' ' TRP . 26.4 tt0 -50.05 -47.29 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -57.49 -49.97 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.477 HD12 ' OE1' ' A' ' 941' ' ' GLU . 43.4 mt -52.09 -60.17 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 950' ' ' ILE . 21.2 t80 -46.68 -61.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -44.86 -50.83 10.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.55 -41.06 80.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.524 ' NE2' HD11 ' A' ' 953' ' ' LEU . 55.3 t60 -61.12 -39.82 91.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.521 HD11 ' CE1' ' A' ' 946' ' ' PHE . 14.8 mm -65.22 -62.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -47.1 -40.56 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.81 87.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.524 HD11 ' NE2' ' A' ' 949' ' ' HIS . 55.2 mt -53.48 -58.65 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 63.3 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 897' ' ' GLU . 73.7 ttt180 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 896' ' ' ARG . 5.4 mm-40 -36.98 -49.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.67 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -50.09 -51.51 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.14 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -48.72 -55.7 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -52.43 -39.22 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.657 ' CD2' HD13 ' A' ' 945' ' ' LEU . 17.4 t80 -57.37 -66.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 907' ' ' LEU . 22.8 mttm -46.56 -55.04 8.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.47 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.58 -33.23 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 904' ' ' LYS . 34.0 mt -71.43 -32.78 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.9 t -81.87 -26.8 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -77.81 -36.17 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.0 mmm -98.37 -67.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.653 HG11 ' HE1' ' A' ' 946' ' ' PHE . 3.3 t -80.17 58.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . 0.65 ' O ' HD13 ' A' ' 953' ' ' LEU . 9.4 ttt180 -66.46 -27.54 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.0 m -80.98 172.69 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 6.4 p -125.82 0.09 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.51 26.83 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.523 HG21 ' CG1' ' A' ' 911' ' ' VAL . 18.2 m -109.48 168.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.3 t -115.29 152.41 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.522 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 19.4 t-105 -44.97 -68.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 55.7 p -38.27 -66.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -42.6 -49.93 5.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.419 HG23 HG21 ' A' ' 911' ' ' VAL . 35.0 m -55.57 -60.7 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.494 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 39.9 ttt180 -41.17 -49.61 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -64.91 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 89.0 m -64.46 -54.86 25.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 928' ' ' ASP . 18.4 mt -59.76 -50.53 73.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 925' ' ' LEU . 49.8 mtp180 -35.12 -56.14 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -47.65 -42.31 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -51.28 165.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . 0.406 ' CE1' ' OE2' ' A' ' 932' ' ' GLU . 1.8 t60 -92.0 -50.0 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 4.9 mmt180 -45.29 -46.53 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.0 t-105 -37.38 -39.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 929' ' ' HIS . 27.0 mt-10 -42.61 -50.42 5.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.5 m -68.64 -32.85 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.84 -13.25 6.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 936' ' ' LEU . 19.3 t -46.64 -44.15 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.873 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 899' ' ' ALA . 33.3 mt -35.44 -59.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.68 174.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.84 157.16 27.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -39.93 -45.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.4 -52.08 65.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -59.97 -51.35 70.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.3 -53.57 41.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -57.15 13.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.657 HD13 ' CD2' ' A' ' 903' ' ' PHE . 36.6 mt -47.39 -51.89 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.729 ' CE1' HD11 ' A' ' 950' ' ' ILE . 19.0 t80 -56.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -42.74 -47.97 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.8 -48.34 72.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.402 ' NE2' HD11 ' A' ' 953' ' ' LEU . 80.0 t60 -57.93 -47.7 82.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.729 HD11 ' CE1' ' A' ' 946' ' ' PHE . 45.2 mm -52.88 -60.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 7.6 pt-20 -57.34 -38.72 74.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -58.51 -39.13 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 912' ' ' ARG . 67.5 mt -63.42 -55.67 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 64.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 900' ' ' ILE . 17.1 mm-40 -40.96 -52.3 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.87 -43.35 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 897' ' ' GLU . 84.1 mt -55.82 -60.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.68 -51.9 67.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -53.35 -43.69 67.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.499 ' HD2' HD13 ' A' ' 945' ' ' LEU . 17.8 t80 -56.19 -54.92 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 907' ' ' LEU . 28.0 mttm -49.04 -55.47 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.4 -43.9 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.01 -41.19 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 904' ' ' LYS . 38.0 mt -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 43.2 t -78.58 -25.18 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.08 -38.78 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 41.5 mmm -98.61 -54.4 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.676 ' CG1' HG21 ' A' ' 916' ' ' VAL . 3.4 t -89.99 64.33 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -69.08 -6.33 27.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 26.3 m -102.12 175.31 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.9 p -121.2 -20.21 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -87.93 46.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.676 HG21 ' CG1' ' A' ' 911' ' ' VAL . 34.5 m -112.75 -176.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.5 t -120.73 156.69 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.551 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 13.1 t-105 -62.9 -44.68 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.2 m -63.72 -53.41 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.06 -47.51 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.502 ' CG2' HG21 ' A' ' 911' ' ' VAL . 61.7 m -64.48 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.551 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 56.6 ttt180 -34.87 -60.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 -58.28 -42.85 87.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 98.0 m -54.64 -26.58 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 17.9 mt -94.26 -33.63 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -48.69 -41.33 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -72.54 -29.69 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.64 170.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -93.83 -47.79 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 -33.32 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -39.94 -37.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -55.81 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.3 p -55.02 -39.29 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.0 6.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.5 t -51.37 -51.55 53.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 29.2 mt -42.95 -38.31 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.37 115.12 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 941' ' ' GLU . 15.5 pt-20 -64.59 154.53 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -54.35 -43.72 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 945' ' ' LEU . 12.1 mm-40 -69.65 -36.1 75.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -66.43 -49.0 68.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.11 -57.36 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -61.05 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.499 HD13 ' HD2' ' A' ' 903' ' ' PHE . 32.1 mt -43.57 -48.87 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 950' ' ' ILE . 43.6 t80 -53.34 -55.47 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -52.36 -47.44 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -50.75 -48.0 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.541 ' NE2' HD11 ' A' ' 953' ' ' LEU . 53.5 t60 -58.65 -63.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 946' ' ' PHE . 25.2 mm -37.33 -47.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.44 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.541 HD11 ' NE2' ' A' ' 949' ' ' HIS . 87.3 mt -56.78 -55.38 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.578 ' HA ' HD13 ' A' ' 936' ' ' LEU . 23.9 ttm180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -39.58 -59.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 899' ' ' ALA . 11.8 pt-20 -41.3 -51.68 3.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -54.13 -50.7 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 95.3 mt -52.89 -65.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -50.42 -53.53 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -55.27 -37.56 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.638 ' CD2' HD13 ' A' ' 945' ' ' LEU . 33.3 t80 -58.35 -49.17 78.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -60.05 -47.77 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.2 84.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.63 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 911' ' ' VAL . 81.8 mt -65.78 -47.9 73.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 30.0 t -61.42 -47.36 86.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.02 -65.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 71.9 mmm -64.37 -55.67 19.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.533 HG21 HG23 ' A' ' 921' ' ' THR . 15.5 t -102.24 69.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.1 ttp-105 -75.45 -26.04 57.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -83.02 163.22 21.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . 0.492 ' HA ' HD12 ' A' ' 950' ' ' ILE . 5.3 p -120.61 19.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.08 33.08 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.1 173.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.1 t -111.18 158.83 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.442 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.9 t-105 -53.73 -56.0 21.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 5.2 t -48.57 -67.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 58.2 m-20 -38.8 -51.19 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.533 HG23 HG21 ' A' ' 911' ' ' VAL . 97.9 m -58.87 -45.48 90.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.442 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 7.0 ttt-85 -53.59 -46.06 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 26.9 ptt180 -73.15 -24.68 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.8 m -75.12 -41.9 57.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.06 -37.6 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -49.35 -47.42 47.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -65.37 -30.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -58.0 159.27 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.81 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -79.56 -58.83 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.9 mtt180 -42.27 -42.39 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.54 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 6.6 t-105 -34.5 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 8.9 t -59.74 -43.95 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.0 -14.7 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 85.5 p -53.02 -39.32 63.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.742 HD12 ' HB2' ' A' ' 899' ' ' ALA . 24.7 mt -40.34 -42.24 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.24 175.1 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.7 pt-20 -121.15 148.12 44.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 938' ' ' GLU . 10.1 ptt180 -35.01 -44.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.41 -61.0 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.91 -46.52 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.54 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 20.5 mtpp -56.11 -61.48 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.89 -47.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -59.06 -50.02 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.638 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -52.04 -60.09 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.459 ' CZ ' HG13 ' A' ' 950' ' ' ILE . 21.7 t80 -49.87 -59.45 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -46.65 -44.4 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.34 -52.03 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.593 ' NE2' HD11 ' A' ' 953' ' ' LEU . 71.7 t60 -53.36 -54.54 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 914' ' ' SER . 26.1 mm -54.75 -55.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.41 -39.27 60.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.49 -53.59 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.593 HD11 ' NE2' ' A' ' 949' ' ' HIS . 31.9 mt -47.17 -63.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' A' ' 936' ' ' LEU . 27.7 ttm180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -39.97 -43.92 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.3 -45.55 90.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.728 ' CB ' HD12 ' A' ' 936' ' ' LEU . . . -60.3 -44.08 95.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.65 -62.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -54.96 -45.33 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -58.93 -43.14 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -56.24 -50.84 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -54.42 -56.56 17.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.33 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.54 -36.62 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 911' ' ' VAL . 56.7 mt -61.84 -48.5 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 24.6 t -62.71 -49.93 73.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.05 -46.98 84.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 70.7 mmm -78.95 -21.77 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 907' ' ' LEU . 13.2 t -127.65 92.76 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -93.75 -2.57 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.8 m -102.62 179.08 4.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 99.7 p -128.27 -30.48 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.73 44.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.55 -175.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 23.4 m -118.31 142.18 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.53 -39.31 76.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 17.0 m -65.65 -43.45 89.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.85 -54.87 39.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 44.0 m -66.47 -50.6 62.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -42.12 -45.11 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -75.97 -45.14 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 58.0 m -49.92 -48.27 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 928' ' ' ASP . 24.1 mt -66.86 -48.54 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 931' ' ' TRP . 9.0 mtp-105 -43.96 -28.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.24 -33.58 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 925' ' ' LEU . 30.5 t0 -56.71 174.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -91.39 -46.84 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.62 -35.51 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 926' ' ' ARG . 9.8 t-105 -43.44 -34.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.83 -55.34 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.5 t -60.21 -29.65 68.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.75 -12.64 28.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.3 m -51.28 -43.01 61.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 899' ' ' ALA . 16.6 mt -40.53 -44.13 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.24 161.48 29.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 939' ' ' ARG . 14.6 pt-20 -111.42 155.92 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 48.0 mtm-85 -37.18 -43.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.89 -55.44 34.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.74 -44.55 90.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -56.38 -52.62 63.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.36 -56.18 25.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -44.38 -52.81 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 946' ' ' PHE . 40.1 mt -58.52 -66.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 945' ' ' LEU . 42.7 t80 -36.05 -35.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -68.87 -58.25 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 4.9 pt-20 -52.46 -46.77 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.551 ' O ' ' HB3' ' A' ' 952' ' ' ALA . 19.6 t60 -55.55 -64.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 19.9 mm -42.41 -63.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 6.3 pt-20 -52.48 -30.87 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -66.29 -35.39 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.88 -43.91 94.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 936' ' ' LEU . 8.4 ttm105 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -40.43 -48.71 2.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.33 -47.68 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.681 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -57.49 -43.36 84.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.427 HG22 ' HE3' ' A' ' 904' ' ' LYS . 92.6 mt -57.05 -66.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.75 -50.87 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -56.35 -37.72 70.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 907' ' ' LEU . 25.4 t80 -60.38 -46.99 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . 0.427 ' HE3' HG22 ' A' ' 900' ' ' ILE . 43.6 mttt -58.4 -50.37 73.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.27 93.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.84 -41.93 98.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 903' ' ' PHE . 66.4 mt -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 22.7 t -62.6 -45.45 92.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 -60.24 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 3.9 mmt -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.97 93.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -94.13 -7.58 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 23.6 m -97.59 -175.41 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . 0.422 ' HA ' HG23 ' A' ' 950' ' ' ILE . 11.7 p -131.67 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -84.58 43.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.71 170.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 9.4 m -108.27 140.98 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -49.46 -48.96 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 15.4 t -47.97 -63.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -45.22 -51.66 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 922' ' ' ARG . 19.6 m -57.55 -65.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 921' ' ' THR . 11.4 ttt85 -36.75 -48.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -52.84 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.7 m -43.89 -36.52 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.461 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 16.7 mt -83.43 -45.0 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 925' ' ' LEU . 17.2 mtp85 -36.31 -52.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -64.68 -39.25 93.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 925' ' ' LEU . 22.9 t0 -51.89 140.5 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -64.69 -54.33 33.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 931' ' ' TRP . 63.1 mtt180 -42.62 -50.83 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.547 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -37.8 -44.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -41.15 -58.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 18.9 m -54.84 -36.92 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.43 -13.4 3.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 12.4 t -39.72 -44.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.681 HD12 ' HB2' ' A' ' 899' ' ' ALA . 16.9 mt -40.92 -43.99 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.57 174.18 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.65 165.28 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -49.31 -25.62 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.47 -47.28 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.517 ' O ' HD12 ' A' ' 945' ' ' LEU . 6.6 mm-40 -70.11 -34.45 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.547 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 45.5 mttm -70.55 -44.01 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -68.78 -51.04 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -58.66 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 941' ' ' GLU . 27.9 mt -50.94 -49.14 60.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.401 ' CD1' HG21 ' A' ' 921' ' ' THR . 38.8 t80 -53.14 -60.61 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -48.44 -44.94 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.17 -47.25 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.682 ' NE2' HD11 ' A' ' 953' ' ' LEU . 22.4 t60 -56.3 -46.13 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 914' ' ' SER . 27.0 mm -59.65 -41.66 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.04 -47.95 80.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.39 85.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.682 HD11 ' NE2' ' A' ' 949' ' ' HIS . 81.1 mt -51.17 -52.13 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.63 ' HA ' HD13 ' A' ' 936' ' ' LEU . 47.5 ttt85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.764 0.316 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.13 -45.02 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.31 -51.68 61.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.828 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -54.44 -49.39 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.3 -63.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -54.22 -49.78 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -59.84 -26.79 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.662 ' CE2' HD11 ' A' ' 907' ' ' LEU . 28.7 t80 -69.35 -66.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . 0.609 ' HD2' HD22 ' A' ' 945' ' ' LEU . 0.0 OUTLIER -46.5 -47.02 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.39 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.594 HD21 HD22 ' A' ' 925' ' ' LEU . 13.0 tp -62.72 -41.84 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.662 HD11 ' CE2' ' A' ' 903' ' ' PHE . 88.2 mt -59.84 -42.04 92.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 33.0 t -67.77 -34.21 76.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.03 -62.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 36.6 mmm -66.94 -48.44 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 1.022 HG21 HG23 ' A' ' 921' ' ' THR . 21.8 t -107.19 71.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 912' ' ' ARG . 6.4 tmm_? -82.69 -26.36 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 160.54 27.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 83.1 p -112.65 -8.81 13.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -104.39 46.85 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.528 HG21 HG13 ' A' ' 911' ' ' VAL . 3.5 m -123.76 147.46 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 20.3 p -92.62 159.52 15.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 17.6 t-105 -57.4 -54.87 41.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.1 t -41.2 -49.21 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.14 -61.34 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 1.022 HG23 HG21 ' A' ' 911' ' ' VAL . 89.1 m -42.16 -47.14 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -59.0 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -57.01 -15.25 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 66.4 m -87.04 -58.61 2.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.594 HD22 HD21 ' A' ' 906' ' ' LEU . 18.1 mt -63.75 -35.33 80.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -45.96 -60.09 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -59.79 -30.76 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.16 158.32 11.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -77.96 -55.11 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.2 mpt_? -38.38 -56.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.476 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 41.1 t-105 -34.56 -46.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -41.2 -59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.4 m -58.47 -39.98 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 935' ' ' SER . . . -55.41 -14.29 6.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 934' ' ' GLY . 3.6 m -36.99 -38.84 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.828 HD12 ' HB2' ' A' ' 899' ' ' ALA . 23.5 mt -42.03 -49.59 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.93 170.06 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -119.84 152.12 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 939' ' ' ARG . 3.6 tmm_? -39.92 -41.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.66 -55.06 37.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.476 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 67.3 mttt -59.11 -49.82 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -51.03 -59.15 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -54.09 -61.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.609 HD22 ' HD2' ' A' ' 904' ' ' LYS . 34.4 mt -38.8 -47.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 918' ' ' TRP . 19.5 t80 -59.89 -50.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.09 -49.25 74.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.46 -44.76 85.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.487 ' CE1' HD21 ' A' ' 953' ' ' LEU . 32.8 t60 -54.66 -55.65 27.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.666 ' HA ' HD12 ' A' ' 953' ' ' LEU . 16.5 mm -53.84 -67.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.1 -35.27 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.0 -51.06 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 950' ' ' ILE . 41.6 mt -38.81 -63.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.773 0.321 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -38.72 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.38 -43.46 23.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.686 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -62.44 -46.6 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.07 -63.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.29 -48.28 71.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.24 -51.26 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -50.42 -61.31 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . 0.431 ' HA ' HD12 ' A' ' 907' ' ' LEU . 6.5 mtmp? -44.87 -59.47 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -49.33 -40.65 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.506 ' CD2' HD22 ' A' ' 925' ' ' LEU . 20.9 tp -66.24 -44.17 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 925' ' ' LEU . 66.6 mt -55.71 -37.06 67.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 16.6 m -75.73 -38.99 58.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.14 -39.75 90.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.2 mmm -95.81 -52.86 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.971 HG21 HG23 ' A' ' 921' ' ' THR . 34.0 t -101.07 60.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -64.7 -27.99 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 175.85 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 93.9 p -124.27 -31.93 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.32 44.65 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.538 HG21 ' CG1' ' A' ' 911' ' ' VAL . 34.0 m -107.95 168.76 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 10.4 t -102.21 151.49 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.56 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 3.6 t-105 -54.42 -52.51 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 10.5 t -55.08 -57.81 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -43.79 -50.05 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.971 HG23 HG21 ' A' ' 911' ' ' VAL . 88.0 m -57.96 -52.83 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.56 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 34.4 ttt-85 -44.29 -62.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . 0.405 ' HB2' ' NH2' ' A' ' 926' ' ' ARG . 47.9 ttt180 -54.54 -51.63 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 56.0 m -43.03 -37.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 907' ' ' LEU . 26.1 mt -87.39 -41.25 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 923' ' ' ARG . 50.9 mtm180 -46.95 -52.95 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -35.0 78.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.61 168.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 930' ' ' ARG . 2.7 m-70 -87.4 -57.08 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 931' ' ' TRP . 7.4 mpt_? -37.17 -41.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.563 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 21.8 t-105 -34.58 -46.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 931' ' ' TRP . 15.4 mt-10 -35.04 -62.28 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.1 m -61.76 -40.89 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.56 -14.73 3.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.3 m -47.49 -41.89 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 899' ' ' ALA . 38.9 mt -41.94 -46.39 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.22 137.16 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 940' ' ' GLU . 9.9 pt-20 -87.25 150.22 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.0 OUTLIER -36.11 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 938' ' ' GLU . 1.9 tp10 -69.88 -49.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 938' ' ' GLU . 3.9 mm-40 -58.88 -35.26 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.563 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 40.2 mttp -67.85 -50.05 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.0 -47.22 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -67.63 -64.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.32 -49.92 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 921' ' ' THR . 31.2 t80 -56.57 -51.84 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.31 -51.75 56.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.58 -50.3 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -50.05 -51.69 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 953' ' ' LEU . 14.6 mm -56.08 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -44.36 -44.75 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.66 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 950' ' ' ILE . 72.1 mt -50.33 -61.65 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 35.5 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 896' ' ' ARG . 19.9 ttp-105 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.19 -56.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -48.58 43.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -56.49 -43.79 80.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 98.4 mt -57.65 -64.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -54.68 -47.55 73.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -56.4 -40.02 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 907' ' ' LEU . 31.0 t80 -59.86 -54.62 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . 0.419 ' CE ' HD22 ' A' ' 945' ' ' LEU . 0.4 OUTLIER -50.05 -50.48 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.08 74.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.52 -33.26 74.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 903' ' ' PHE . 43.7 mt -69.12 -42.89 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.412 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 27.0 t -74.57 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.51 -42.7 70.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 16.2 mmm -95.61 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.594 HG21 HG23 ' A' ' 921' ' ' THR . 2.7 t -83.13 55.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.37 -20.84 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 2.9 m -84.52 167.75 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.2 p -123.92 11.27 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -111.55 37.44 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 911' ' ' VAL . 11.0 m -116.33 175.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 16.6 m -112.99 152.88 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -53.81 -56.06 20.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 9.0 m -44.6 -63.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -49.18 -39.17 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.594 HG23 HG21 ' A' ' 911' ' ' VAL . 98.8 m -65.63 -44.87 85.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.08 -51.25 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -67.64 -24.82 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 8.6 m -69.74 -50.41 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.535 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 22.1 mt -75.38 -45.55 38.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 45.9 mtp85 -36.8 -53.32 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -35.62 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 34.0 t70 -53.0 156.49 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.22 -60.27 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 931' ' ' TRP . 35.1 mtt85 -42.11 -52.68 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 925' ' ' LEU . 14.8 t-105 -36.49 -43.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 931' ' ' TRP . 16.1 tt0 -36.18 -61.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 12.0 m -53.95 -38.9 65.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -52.9 -14.45 2.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -46.57 -31.69 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 899' ' ' ALA . 32.4 mt -48.16 -42.86 30.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . 0.939 HD22 ' OE1' ' A' ' 941' ' ' GLU . 14.7 mt -67.3 175.79 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.8 pt-20 -122.14 148.46 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 33.0 mtt180 -35.33 -43.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.08 -59.88 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.939 ' OE1' HD22 ' A' ' 937' ' ' LEU . 8.3 tm-20 -53.05 -42.56 65.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -59.52 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -47.1 -48.67 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -57.92 -51.35 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.44 HD11 ' OE2' ' A' ' 941' ' ' GLU . 71.6 mt -51.36 -61.07 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.513 ' CD1' HG21 ' A' ' 921' ' ' THR . 21.5 t80 -46.44 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -42.18 -51.59 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -55.68 -45.21 77.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.437 ' NE2' HD11 ' A' ' 953' ' ' LEU . 68.2 t60 -56.79 -48.62 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.61 -52.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -56.37 -39.66 73.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.56 92.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.437 HD11 ' NE2' ' A' ' 949' ' ' HIS . 67.1 mt -61.95 -59.32 5.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 897' ' ' GLU . 46.4 ttp180 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 8.8 mm-40 -35.28 -65.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -41.56 -45.78 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.556 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.55 -43.7 93.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 76.9 mt -59.31 -60.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.89 -48.77 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -55.77 -41.44 74.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.729 ' CD2' HD13 ' A' ' 945' ' ' LEU . 28.8 t80 -58.84 -49.85 76.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -55.86 -50.07 71.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -55.95 -48.84 75.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 10.8 tp -55.87 -43.63 77.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.478 HD23 HD11 ' A' ' 925' ' ' LEU . 58.6 mt -56.53 -49.63 74.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.472 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 17.1 t -60.61 -55.95 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.82 -64.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 40.2 mmm -61.07 -58.25 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.473 HG21 HG23 ' A' ' 921' ' ' THR . 5.8 t -101.01 72.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -75.13 -23.11 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.9 m -77.85 167.97 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 91.3 p -128.58 17.38 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -115.06 33.44 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.73 171.59 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 68.8 m -108.56 156.68 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.49 ' CD1' ' HG3' ' A' ' 943' ' ' GLU . 23.2 t-105 -56.16 -68.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 918' ' ' TRP . 8.8 m -35.45 -62.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 9.7 t0 -49.25 -43.19 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.476 HG21 ' CD1' ' A' ' 946' ' ' PHE . 52.9 m -63.33 -42.09 98.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.466 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 17.0 ttt-85 -58.45 -52.59 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 8.8 ptp180 -58.0 -39.99 79.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' A' ' 923' ' ' ARG . 75.1 m -61.49 -68.12 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.478 HD11 HD23 ' A' ' 907' ' ' LEU . 61.8 mt -47.25 -47.41 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 925' ' ' LEU . 38.7 mtp180 -37.01 -66.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -43.76 -42.06 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 925' ' ' LEU . 17.7 t0 -43.69 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -91.11 -51.15 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.474 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 5.4 mpt_? -48.4 -44.18 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -38.85 -34.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -45.92 -53.22 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.7 m -65.06 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.19 -14.39 11.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.1 m -45.48 -38.1 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 899' ' ' ALA . 41.4 mt -41.29 -52.55 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . 0.403 ' O ' ' NZ ' ' A' ' 942' ' ' LYS . 14.8 mt -60.89 164.82 4.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.1 pt-20 -110.44 149.97 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 5.5 ttt180 -35.79 -43.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.35 -56.64 18.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -56.66 -44.27 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 937' ' ' LEU . 49.2 mttp -57.4 -59.14 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . 0.49 ' HG3' ' CD1' ' A' ' 918' ' ' TRP . 10.3 tt0 -51.78 -45.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -58.61 -47.53 84.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 903' ' ' PHE . 39.2 mt -54.43 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 950' ' ' ILE . 27.3 t80 -47.66 -62.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -41.52 -48.63 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -60.61 -42.49 96.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.513 ' NE2' HD11 ' A' ' 953' ' ' LEU . 48.5 t60 -58.83 -54.69 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 946' ' ' PHE . 38.4 mm -51.46 -53.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.87 -43.84 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.36 69.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.513 HD11 ' NE2' ' A' ' 949' ' ' HIS . 49.5 mt -66.75 -59.68 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.495 ' HA ' HD13 ' A' ' 936' ' ' LEU . 30.9 ttm-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 900' ' ' ILE . 18.0 mm-40 -35.16 -58.91 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -49.33 -45.83 45.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.551 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.5 -43.36 93.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 897' ' ' GLU . 72.5 mt -57.66 -62.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -56.46 -47.3 79.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -58.28 -43.0 87.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 907' ' ' LEU . 15.9 t80 -55.18 -57.37 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -59.93 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.15 -39.73 60.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.92 -38.21 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 903' ' ' PHE . 37.7 mt -68.26 -32.22 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 28.9 t -82.9 -26.92 31.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.71 -41.17 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 42.9 mmm -94.7 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.616 ' CG1' HG21 ' A' ' 916' ' ' VAL . 3.1 t -77.3 53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -62.26 -13.94 33.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 38.4 m -83.13 173.57 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.7 p -121.78 -35.39 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -80.61 47.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.616 HG21 ' CG1' ' A' ' 911' ' ' VAL . 30.4 m -112.97 168.67 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.5 m -107.42 147.31 30.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -59.51 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 4.8 t -46.93 -51.58 16.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.77 -54.8 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.592 ' CG2' HG21 ' A' ' 911' ' ' VAL . 48.0 m -61.81 -43.61 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -44.72 -58.9 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -62.62 -49.6 74.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 59.7 m -42.71 -51.42 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 928' ' ' ASP . 33.9 mt -67.31 -52.06 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.455 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 34.4 mtt180 -34.76 -55.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.99 -40.54 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 925' ' ' LEU . 29.3 t0 -50.13 172.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -89.26 -55.07 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 8.1 mpt_? -44.43 -49.75 9.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.455 ' CD1' ' HA ' ' A' ' 926' ' ' ARG . 21.4 t-105 -35.89 -39.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.64 -55.37 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 10.3 m -67.46 -36.66 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.69 -13.52 6.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 936' ' ' LEU . 9.0 m -40.8 -43.95 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 899' ' ' ALA . 30.9 mt -36.79 -50.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.67 127.23 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 941' ' ' GLU . 7.6 pt-20 -77.5 154.2 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 4.7 ttm105 -36.8 -43.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -49.18 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 938' ' ' GLU . 8.6 mm-40 -61.83 -43.73 98.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.427 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 35.8 mttm -61.95 -41.69 98.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.69 -55.07 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -59.8 -56.46 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -46.52 -53.77 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.495 ' CE1' HD11 ' A' ' 950' ' ' ILE . 28.8 t80 -51.12 -58.63 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -48.02 -47.8 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.31 -44.19 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 73.9 t60 -60.98 -52.42 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 946' ' ' PHE . 42.9 mm -54.32 -65.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 11.4 pt-20 -46.96 -43.22 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -55.15 -45.14 75.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.33 -54.12 50.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 32.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.487 ' HA ' HD13 ' A' ' 936' ' ' LEU . 20.6 ttp180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.796 0.331 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.36 -51.54 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -50.15 -54.6 19.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -51.98 -46.83 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.22 -67.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.56 -53.02 33.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -53.93 -35.46 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.518 ' HD2' HD13 ' A' ' 945' ' ' LEU . 13.1 t80 -62.34 -53.66 51.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' A' ' 907' ' ' LEU . 58.4 mttt -53.01 -55.34 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.98 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.11 -45.85 91.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 904' ' ' LYS . 48.5 mt -54.86 -41.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 29.5 t -67.63 -43.49 80.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.72 -63.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . 0.41 ' CE ' HG22 ' A' ' 924' ' ' THR . 8.9 mmm -60.87 -45.67 93.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.4 t -107.44 88.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -87.48 -9.9 53.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.3 m -99.1 -176.61 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . 0.413 ' HA ' HG23 ' A' ' 950' ' ' ILE . 74.4 p -127.18 -30.99 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.67 45.18 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.469 HG23 ' HZ ' ' A' ' 946' ' ' PHE . 27.7 m -103.48 -176.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.4 m -124.95 134.32 52.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.448 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.6 t-105 -42.93 -54.15 4.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 78.3 p -50.65 -59.53 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -43.56 -54.34 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 924' ' ' THR . 74.4 m -52.53 -63.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.448 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 10.3 ttt-85 -39.56 -48.76 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -62.22 -34.01 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 921' ' ' THR . 39.5 m -71.6 -47.08 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 928' ' ' ASP . 21.2 mt -67.57 -48.94 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 925' ' ' LEU . 24.4 mtp180 -34.53 -56.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.47 -39.58 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.4 t70 -44.61 160.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -86.05 -55.87 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -48.01 -32.73 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -44.27 -30.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.57 -55.62 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 p -59.18 -40.56 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.57 -14.17 3.41 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.3 m -49.14 -46.98 45.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.831 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 896' ' ' ARG . 40.8 mt -38.49 -52.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.36 177.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 939' ' ' ARG . 21.9 pt-20 -133.21 155.72 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 938' ' ' GLU . 11.7 ptm180 -35.19 -41.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.6 -55.61 32.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.03 -45.56 91.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -55.44 -50.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.55 -60.41 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -50.79 -59.75 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.518 HD13 ' HD2' ' A' ' 903' ' ' PHE . 21.1 mt -43.7 -47.62 7.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 950' ' ' ILE . 54.1 t80 -54.81 -56.64 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.03 -48.0 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.59 -55.11 32.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 953' ' ' LEU . 23.0 t60 -46.35 -60.7 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.524 HD11 ' CE1' ' A' ' 946' ' ' PHE . 16.7 mm -46.44 -54.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -53.66 -39.17 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.95 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 949' ' ' HIS . 60.5 mt -53.15 -55.51 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 26.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' A' ' 936' ' ' LEU . 28.6 ttm-85 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.777 0.323 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 900' ' ' ILE . 8.9 mm-40 -47.56 -61.54 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -48.71 -41.78 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 98.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 897' ' ' GLU . 76.3 mt -55.74 -59.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -56.71 -56.33 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -52.02 -41.8 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.486 ' HD2' HD13 ' A' ' 945' ' ' LEU . 36.2 t80 -56.56 -56.16 24.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.15 -55.21 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.23 -41.03 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.6 -37.34 86.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 903' ' ' PHE . 67.6 mt -65.83 -36.6 83.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 10.2 t -81.87 -29.7 32.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.9 -39.65 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 35.9 mmm -96.44 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.802 HG21 HG23 ' A' ' 921' ' ' THR . 11.8 t -84.53 73.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -84.77 -7.51 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 33.2 t -82.74 159.21 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 62.2 p -117.3 6.63 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -115.25 45.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.17 172.25 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 t -122.14 158.18 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 919' ' ' SER . 27.9 t-105 -41.4 -59.98 1.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 918' ' ' TRP . 6.7 m -35.64 -69.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.34 -47.79 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.802 HG23 HG21 ' A' ' 911' ' ' VAL . 23.4 m -58.85 -66.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 921' ' ' THR . 63.9 ttt180 -35.22 -51.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 923' ' ' ARG . 14.1 mtp-105 -63.86 -61.65 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 94.9 m -39.5 -42.13 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 928' ' ' ASP . 19.3 mt -74.31 -44.92 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -43.11 -30.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -80.93 -32.94 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 8.5 t70 -60.09 165.9 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . 0.43 ' N ' ' CG ' ' A' ' 928' ' ' ASP . 2.6 t-80 -88.16 -49.66 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.422 ' H ' ' CD ' ' A' ' 930' ' ' ARG . 0.1 OUTLIER -52.81 -31.23 37.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -41.94 -31.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.71 -49.92 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 93.3 p -65.56 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -59.04 -14.46 24.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.2 m -52.02 -42.95 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 896' ' ' ARG . 27.5 mt -41.98 -40.99 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.4 mt -77.54 118.53 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -60.18 155.52 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -44.32 -36.79 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -66.34 -41.6 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -71.32 -35.46 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -65.62 -52.6 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.82 -54.48 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -56.77 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.486 HD13 ' HD2' ' A' ' 903' ' ' PHE . 34.4 mt -49.45 -53.3 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.73 -55.7 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -46.99 -44.41 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.14 -54.54 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.912 ' CE1' HD11 ' A' ' 953' ' ' LEU . 61.8 t60 -44.25 -53.4 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.52 -54.85 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -17.15 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -88.25 -35.42 17.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.912 HD11 ' CE1' ' A' ' 949' ' ' HIS . 19.4 mt -79.52 -9.47 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 900' ' ' ILE . 7.9 mm-40 -38.83 -63.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -41.05 -48.25 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.724 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -61.08 -46.87 88.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 897' ' ' GLU . 88.9 mt -53.39 -65.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -51.18 -52.68 41.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -50.62 -40.88 54.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.491 ' HD2' HD13 ' A' ' 945' ' ' LEU . 21.8 t80 -60.83 -58.32 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -49.22 -51.28 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.9 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.44 -41.56 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.93 -48.85 77.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 26.1 t -68.42 -50.19 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.58 -60.52 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.1 mmm -72.98 -57.32 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.784 HG21 HG23 ' A' ' 921' ' ' THR . 5.5 t -97.05 82.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . 0.452 ' O ' HD13 ' A' ' 953' ' ' LEU . 20.2 ptp180 -93.3 -11.52 32.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.3 t -79.45 174.05 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 68.6 p -117.95 -22.72 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -91.77 45.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.779 HG21 ' CG1' ' A' ' 911' ' ' VAL . 18.9 m -117.87 143.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 49.3 m -93.26 152.71 19.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.08 -37.81 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.0 m -67.16 -49.38 64.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.84 -43.37 63.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.784 HG23 HG21 ' A' ' 911' ' ' VAL . 91.6 m -69.76 -56.61 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 921' ' ' THR . 46.9 ttt180 -37.28 -55.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.51 -50.0 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 88.5 m -48.99 -42.02 36.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 928' ' ' ASP . 78.5 mt -75.33 -44.81 43.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 925' ' ' LEU . 52.0 mtp85 -37.02 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -65.28 -41.76 93.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 925' ' ' LEU . 36.1 t70 -54.14 169.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -97.19 -50.35 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 931' ' ' TRP . 24.6 mtt180 -42.01 -44.91 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.433 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.3 t-105 -34.92 -43.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -39.53 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 13.3 p -60.7 -39.16 87.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.3 -14.43 4.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.9 t -52.41 -44.41 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' A' ' 899' ' ' ALA . 26.8 mt -39.03 -47.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.23 179.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 939' ' ' ARG . 10.1 pt-20 -124.4 151.47 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 938' ' ' GLU . 15.3 ttm180 -35.45 -46.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.12 -56.15 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.45 -46.31 83.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -56.48 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -54.79 -51.93 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -51.15 -57.59 8.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.491 HD13 ' HD2' ' A' ' 903' ' ' PHE . 41.4 mt -46.3 -56.47 5.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.427 ' HE1' HG11 ' A' ' 911' ' ' VAL . 50.6 t80 -51.01 -62.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -43.68 -42.33 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.1 -47.5 82.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.615 ' NE2' HD11 ' A' ' 953' ' ' LEU . 51.5 t60 -51.85 -56.75 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 22.2 mm -53.8 -54.75 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -50.57 -29.32 10.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -75.12 -56.26 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.615 HD11 ' NE2' ' A' ' 949' ' ' HIS . 87.6 mt -49.54 -34.32 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.814 0.34 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.07 -49.09 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -51.79 -43.46 63.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -62.68 -40.77 98.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.77 -55.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -62.92 -40.33 97.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -64.11 -63.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 907' ' ' LEU . 39.8 t80 -47.4 -55.2 9.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.84 -63.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -46.73 -38.03 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.9 tp -69.53 -29.91 67.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' A' ' 903' ' ' PHE . 81.0 mt -70.31 -42.03 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.548 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 48.0 t -74.81 -29.04 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.32 -41.87 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 76.9 mmm -84.47 -41.92 16.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 921' ' ' THR . 4.6 t -100.55 79.91 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -77.71 -14.76 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -99.71 176.53 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 95.1 p -125.89 -26.98 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.87 44.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.449 HG23 ' HZ ' ' A' ' 946' ' ' PHE . 14.1 m -114.2 179.02 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.4 t -115.76 154.2 30.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.43 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 11.4 t-105 -55.4 -47.51 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 80.8 p -56.6 -57.9 10.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -53.02 5.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.448 HG23 ' CG2' ' A' ' 911' ' ' VAL . 86.7 m -63.09 -57.0 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.43 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 12.0 ttt180 -38.79 -61.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -56.49 -40.7 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 90.2 m -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 907' ' ' LEU . 15.0 mt -66.5 -51.22 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -38.14 -44.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -42.69 99.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 12.4 t70 -51.33 167.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 10.3 t-160 -86.38 -52.78 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 1.9 mpt_? -44.23 -40.36 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 930' ' ' ARG . 21.5 t-105 -37.53 -41.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -43.12 -50.33 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 7.4 m -71.84 -28.84 63.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.72 -12.82 29.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 29.8 m -48.2 -45.17 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.468 HD12 ' HB2' ' A' ' 899' ' ' ALA . 25.2 mt -37.35 -50.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.83 125.91 28.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.6 pt-20 -76.36 149.54 36.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 73.6 mtm180 -35.79 -49.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.67 -48.34 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.03 -40.42 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -60.45 -54.16 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.96 -49.99 62.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.16 -51.32 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.4 mt -56.63 -55.89 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.449 ' HZ ' HG23 ' A' ' 916' ' ' VAL . 86.9 t80 -47.56 -55.25 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -49.22 -50.79 36.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.38 -45.3 88.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 13.5 t60 -52.41 -56.52 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 40.2 mm -51.76 -51.62 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -42.1 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 70.4 mt -44.79 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.778 0.323 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -41.66 -51.2 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 899' ' ' ALA . 7.9 pt-20 -50.66 -42.77 56.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.79 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -63.77 -50.86 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 65.6 mt -51.53 -69.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -50.05 -49.45 51.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 898' ' ' GLU . 94.0 m-20 -53.09 -44.3 67.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.435 ' CD2' HD12 ' A' ' 937' ' ' LEU . 23.1 t80 -56.92 -52.84 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -50.05 -60.83 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.63 -30.02 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.53 -45.82 64.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.56 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 35.4 t -66.14 -50.47 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -59.23 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 98.0 mmm -62.07 -44.47 96.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 6.6 t -106.2 90.23 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -89.1 -2.13 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 47.2 m -106.25 172.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 17.2 p -123.25 -11.89 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.86 48.64 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 19.6 m -112.43 -177.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.5 m -119.78 140.03 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.416 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 13.0 t-105 -44.6 -67.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 920' ' ' ASP . 82.1 p -41.65 -59.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 919' ' ' SER . 1.1 m-20 -37.72 -63.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 3.5 m -59.39 -38.21 79.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -48.11 -50.76 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -69.86 -45.89 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 55.5 m -46.77 -45.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.78 -36.13 57.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -49.72 -41.88 44.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -73.89 -27.45 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.11 160.89 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.05 -52.99 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.5 mtt85 -42.54 -49.97 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 934' ' ' GLY . 7.7 t-105 -36.82 -43.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -38.99 -61.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 4.4 m -66.55 -21.98 66.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -68.71 -10.09 60.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 5.3 m -45.75 -40.03 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.876 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' A' ' 899' ' ' ALA . 39.7 mt -37.38 -49.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . 0.793 HD22 ' HG2' ' A' ' 941' ' ' GLU . 17.0 mt -68.53 152.8 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.2 pt-20 -106.96 151.69 24.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 938' ' ' GLU . 16.2 ptt180 -34.91 -45.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.99 -53.79 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . 0.793 ' HG2' HD22 ' A' ' 937' ' ' LEU . 3.7 tp10 -60.54 -54.43 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 903' ' ' PHE . 31.7 mttm -46.8 -56.66 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.94 -53.23 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -45.54 -47.29 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 946' ' ' PHE . 26.5 mt -62.37 -66.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 945' ' ' LEU . 43.2 t80 -36.98 -33.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 945' ' ' LEU . 23.1 m-20 -70.63 -56.76 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 5.7 pt-20 -53.7 -47.26 70.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.616 ' CE1' HD11 ' A' ' 953' ' ' LEU . 14.2 t60 -56.92 -64.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 16.4 mm -41.9 -56.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 5.1 pt-20 -62.01 -31.83 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -66.69 -24.42 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.616 HD11 ' CE1' ' A' ' 949' ' ' HIS . 54.4 mt -75.31 -41.55 56.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -44.18 -48.97 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.53 -46.01 57.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.83 -48.06 83.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.39 -66.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -45.88 -52.13 11.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -56.2 -36.55 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.423 ' HD2' HD13 ' A' ' 945' ' ' LEU . 13.5 t80 -68.18 -46.8 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -52.27 -56.12 16.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.95 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 910' ' ' MET . 12.1 tp -58.88 -36.54 74.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 903' ' ' PHE . 67.0 mt -64.13 -45.46 88.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 42.5 t -70.66 -53.36 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.56 -47.43 70.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . 0.428 ' HG2' HD12 ' A' ' 906' ' ' LEU . 98.5 mmm -75.69 -40.6 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.76 78.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.56 -18.18 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 953' ' ' LEU . 63.5 m -94.03 178.01 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . 0.411 ' HA ' HG23 ' A' ' 950' ' ' ILE . 90.1 p -125.75 -35.65 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -80.85 46.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 30.7 m -103.66 -176.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 19.3 m -113.34 144.39 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.51 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 6.9 t-105 -57.82 -54.47 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 70.8 m -50.08 -52.21 36.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -50.58 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 56.9 m -57.75 -59.4 5.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . 0.51 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 51.3 ttt180 -39.77 -50.85 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -69.47 -35.19 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 41.2 m -65.44 -31.08 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.42 -30.08 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.95 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -42.21 15.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 7.6 t70 -51.36 164.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . 0.499 ' CD2' ' HD2' ' A' ' 930' ' ' ARG . 1.4 p-80 -87.69 -43.73 11.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.499 ' HD2' ' CD2' ' A' ' 929' ' ' HIS . 1.1 mpt_? -42.64 -45.83 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.516 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -45.41 -40.37 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 931' ' ' TRP . 28.5 mm-40 -35.6 -53.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 3.1 m -72.89 -32.74 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -57.05 -11.81 6.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 30.0 m -45.29 -43.55 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 899' ' ' ALA . 39.0 mt -39.26 -43.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 23.8 mt -72.81 157.64 37.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.41 163.59 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -43.5 -32.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' A' ' 939' ' ' ARG . 6.7 tt0 -69.31 -46.95 65.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.34 -45.22 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.516 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 52.1 mttt -61.44 -51.51 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -57.55 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -58.35 -54.83 42.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 903' ' ' PHE . 25.1 mt -47.75 -47.08 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -56.78 -67.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -38.93 -45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -61.66 -52.68 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 24.4 t60 -49.84 -56.13 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.411 HG23 ' HA ' ' A' ' 914' ' ' SER . 10.9 mm -50.7 -59.6 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -46.5 -36.44 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -65.9 -49.4 68.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 913' ' ' SER . 60.1 mt -45.74 -56.12 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 897' ' ' GLU . 13.7 ttp-105 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.765 0.317 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 900' ' ' ILE . 28.7 mp0 -37.54 -56.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -46.64 -48.53 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.511 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -61.75 -43.68 98.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 897' ' ' GLU . 94.7 mt -54.29 -60.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -56.88 -50.65 71.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.89 -42.71 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 907' ' ' LEU . 22.5 t80 -59.06 -48.58 81.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -53.71 -56.32 18.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.74 82.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.497 HD21 HD22 ' A' ' 925' ' ' LEU . 13.2 tp -65.31 -31.96 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 903' ' ' PHE . 56.4 mt -70.2 -47.01 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 73.5 m -63.63 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.09 -65.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.0 mmm -60.55 -37.14 80.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.99 HG21 HG23 ' A' ' 921' ' ' THR . 16.4 t -122.73 78.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -89.43 -18.79 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 25.6 t -73.98 160.06 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 90.0 p -112.24 -6.59 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -102.79 46.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.445 HG21 HG13 ' A' ' 911' ' ' VAL . 12.2 m -130.33 141.72 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 50.6 m -94.02 168.3 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 919' ' ' SER . 24.6 t-105 -52.42 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 918' ' ' TRP . 16.2 m -34.57 -51.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -61.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.99 HG23 HG21 ' A' ' 911' ' ' VAL . 79.1 m -57.78 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.23 -56.51 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -61.26 -37.59 83.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 39.3 m -56.21 -55.33 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.497 HD22 HD21 ' A' ' 906' ' ' LEU . 26.9 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -41.97 -33.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 927' ' ' LYS . 3.0 mmpt? -79.95 -44.26 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 19.8 t0 -52.57 149.32 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . 0.436 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 2.1 m-70 -72.03 -40.79 68.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 931' ' ' TRP . 9.7 mpt_? -53.45 -48.87 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 930' ' ' ARG . 14.0 t-105 -36.67 -37.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -46.28 -61.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 m -57.7 -38.84 75.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.76 -14.31 5.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -43.77 -36.28 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 899' ' ' ALA . 48.5 mt -41.86 -46.46 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.63 163.69 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.29 155.05 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -42.3 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . 0.43 ' N ' ' HG2' ' A' ' 939' ' ' ARG . 25.9 tt0 -74.49 -49.01 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -64.94 -35.55 81.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.09 -53.91 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 943' ' ' GLU . 1.2 tm-20 -54.22 -41.75 69.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.44 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 23.1 mt -47.34 -42.9 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.24 -53.86 53.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.62 -56.02 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -46.43 -44.91 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 953' ' ' LEU . 31.7 t60 -57.61 -55.7 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.89 -63.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.5 -30.93 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -69.41 -38.19 77.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 949' ' ' HIS . 22.8 mt -67.07 -44.9 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.479 ' HA ' HD13 ' A' ' 936' ' ' LEU . 23.1 ttm180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.772 0.32 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.36 -50.72 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -65.37 -38.71 90.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 86.4 mt -58.7 -56.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.89 -47.72 79.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -54.66 -43.36 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.66 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -48.09 -59.16 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.19 65.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.37 -36.26 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 925' ' ' LEU . 47.0 mt -61.13 -49.96 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . 0.421 ' HA ' ' NE2' ' A' ' 949' ' ' HIS . 28.4 t -63.03 -50.77 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.3 -61.89 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' A' ' 925' ' ' LEU . 14.9 mmm -61.98 -31.92 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 921' ' ' THR . 4.2 t -127.12 89.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -95.41 -7.1 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 43.2 t -86.2 163.08 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 950' ' ' ILE . 87.8 p -118.46 -1.6 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -116.07 48.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 6.5 m -123.57 157.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.7 t -100.41 147.81 25.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -47.11 -48.12 23.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.3 m -43.86 -57.17 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.61 -47.33 79.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.727 HG23 HG21 ' A' ' 911' ' ' VAL . 95.8 m -54.89 -45.57 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -60.81 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -27.61 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 52.7 m -70.93 -61.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 928' ' ' ASP . 40.5 mt -61.17 -47.42 86.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 925' ' ' LEU . 28.3 mtp85 -35.74 -49.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -58.94 -42.43 89.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.6 t0 -58.89 145.18 42.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -66.88 -44.1 81.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 5.7 mmt-85 -45.37 -53.14 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 20.7 t-105 -37.39 -42.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -42.98 -49.94 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 16.0 m -67.95 -37.07 81.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.12 -14.45 11.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' LEU . 39.5 t -42.2 -40.96 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 899' ' ' ALA . 35.9 mt -37.38 -49.97 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.19 147.46 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.9 pt-20 -93.5 146.77 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.0 OUTLIER -34.99 -47.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.69 -52.74 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.03 -44.62 96.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . 0.42 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 60.7 mttm -57.56 -53.86 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.65 -45.87 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -54.84 -50.4 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 37.3 mt -55.64 -52.22 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -53.66 -57.79 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -48.36 -41.51 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.68 -42.84 73.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' ' HA ' ' A' ' 908' ' ' SER . 47.9 t60 -55.74 -43.28 76.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 953' ' ' LEU . 51.4 mm -66.99 -49.02 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -31.19 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -72.39 -53.46 12.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 950' ' ' ILE . 45.0 mt -38.94 -50.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 82.2 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 896' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 936' ' ' LEU . 51.8 ttt180 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.754 0.312 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.18 -33.63 53.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.32 -50.22 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 899' ' ' ALA . . . . . 0.881 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -58.35 -40.37 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.43 -65.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.01 -44.66 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 903' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 907' ' ' LEU . 37.3 t80 -56.99 -53.12 61.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -54.02 -48.12 70.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.26 90.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 906' ' ' LEU . . . . . 0.537 HD21 HD22 ' A' ' 925' ' ' LEU . 12.9 tp -58.04 -31.69 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 907' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 903' ' ' PHE . 51.9 mt -70.07 -56.3 7.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.8 t -62.58 -21.42 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.75 -65.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.1 mmm -71.03 -47.16 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 911' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 916' ' ' VAL . 59.2 t -98.98 62.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -74.7 -12.6 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 68.9 p -84.46 164.9 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 914' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 950' ' ' ILE . 92.0 p -122.26 9.14 9.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.43 39.59 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 916' ' ' VAL . . . . . 0.611 HG21 HG13 ' A' ' 911' ' ' VAL . 3.0 m -119.21 154.14 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.6 t -98.37 148.69 23.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -47.58 -45.68 27.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 26.7 p -51.34 -56.46 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -52.86 -39.17 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 921' ' ' THR . . . . . 0.57 HG23 HG21 ' A' ' 911' ' ' VAL . 20.3 m -67.56 -46.85 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -55.93 -36.38 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -82.58 -30.58 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 5.9 m -67.62 -46.52 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 925' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 906' ' ' LEU . 43.7 mt -70.43 -42.42 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -39.59 -50.58 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -30.14 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 928' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -60.79 168.54 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -46.0 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 930' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.4 mpt_? -50.01 -44.72 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 931' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 930' ' ' ARG . 31.5 t-105 -37.39 -41.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -46.62 -57.01 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.5 m -59.29 -39.02 81.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.85 -14.0 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.4 m -43.44 -45.0 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 936' ' ' LEU . . . . . 0.881 HD12 ' HB2' ' A' ' 899' ' ' ALA . 21.7 mt -39.75 -56.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.1 mt -60.24 163.14 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.37 159.7 15.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -46.28 -45.83 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.32 -57.85 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -50.76 -51.82 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -54.1 -55.13 30.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.84 -52.51 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -52.37 -52.78 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.03 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -39.46 -60.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -45.57 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.37 -46.24 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 949' ' ' HIS . . . . . 0.541 ' NE2' HD11 ' A' ' 953' ' ' LEU . 29.7 t60 -52.4 -52.13 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 950' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 953' ' ' LEU . 36.2 mm -58.33 -63.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 951' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 950' ' ' ILE . 75.5 mm-40 -38.32 -45.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.6 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 953' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 950' ' ' ILE . 75.6 mt -56.95 -55.31 36.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 82.4 p -53.04 123.91 12.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 47.9 m -58.12 -58.8 6.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -53.37 135.26 41.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 70.0 m -92.75 130.91 38.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 87.7 p -158.8 155.62 28.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 103.45 166.64 25.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.83 38.47 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -57.53 -53.24 60.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 894' ' ' HIS . 31.3 mt-10 -122.68 101.33 7.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 892' ' ' GLU . 13.6 ptm180 -112.07 -45.56 3.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 891' ' ' ARG . 22.3 mt-10 -48.9 -74.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 894' ' ' HIS . 33.2 tt0 -52.58 -55.06 24.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 893' ' ' GLN . 6.6 m170 -35.81 -54.16 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -42.29 -50.39 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.504 ' HA ' HD13 ' A' ' 936' ' ' LEU . 58.9 ttp180 -69.44 -53.81 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 48.3 mm-40 -36.23 -52.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -48.83 -46.3 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.643 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.86 -43.72 94.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.9 mt -55.26 -64.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -54.78 -46.25 74.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.41 -40.85 79.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -59.94 -52.8 63.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 907' ' ' LEU . 0.3 OUTLIER -53.93 -54.11 43.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.91 -43.4 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.14 -32.32 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 904' ' ' LYS . 75.1 mt -67.76 -43.04 80.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.496 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 46.5 t -68.39 -45.38 72.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.96 -58.66 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 74.4 mmm -67.99 -56.42 9.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 7.6 t -100.48 73.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -75.52 -21.27 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 4.8 m -86.17 170.08 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . 0.414 ' HB2' HG23 ' A' ' 950' ' ' ILE . 86.1 p -126.85 5.42 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -100.33 34.55 2.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.54 167.14 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.19 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.0 t -109.73 154.79 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 943' ' ' GLU . 37.3 t-105 -50.51 -61.78 1.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 918' ' ' TRP . 5.4 m -34.99 -69.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -45.56 -51.45 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 922' ' ' ARG . 21.0 m -53.21 -69.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 921' ' ' THR . 20.8 ttt180 -38.32 -55.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -45.74 66.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 78.8 m -62.95 -47.92 81.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.8 -36.84 84.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -53.65 -25.51 18.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -84.69 -33.06 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -52.81 163.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -82.47 -57.43 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -46.75 -41.75 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -39.41 -42.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -56.17 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 15.2 m -67.79 -26.21 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.63 48.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 936' ' ' LEU . 45.1 t -41.78 -43.77 3.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.643 HD12 ' HB2' ' A' ' 899' ' ' ALA . 35.8 mt -34.66 -55.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.61 118.78 10.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.936 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.8 pt-20 -62.84 153.24 33.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.4 OUTLIER -37.98 -50.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.52 -52.58 64.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 945' ' ' LEU . 5.4 tm-20 -53.04 -52.27 59.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -56.52 -54.79 41.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . 0.486 ' HG3' ' CD2' ' A' ' 918' ' ' TRP . 26.4 tt0 -50.05 -47.29 53.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -57.49 -49.97 74.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.477 HD12 ' OE1' ' A' ' 941' ' ' GLU . 43.4 mt -52.09 -60.17 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 950' ' ' ILE . 21.2 t80 -46.68 -61.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -44.86 -50.83 10.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.55 -41.06 80.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.524 ' NE2' HD11 ' A' ' 953' ' ' LEU . 55.3 t60 -61.12 -39.82 91.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.521 HD11 ' CE1' ' A' ' 946' ' ' PHE . 14.8 mm -65.22 -62.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -47.1 -40.56 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.07 -46.81 87.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.524 HD11 ' NE2' ' A' ' 949' ' ' HIS . 55.2 mt -53.48 -58.65 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 63.3 p -41.75 -46.27 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -47.85 -43.36 28.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.16 -41.56 81.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -43.07 123.58 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -54.78 -62.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -89.18 122.1 32.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 35.6 p -167.34 149.86 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -39.05 158.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.86 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 43.6 m -108.62 111.1 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 4.1 m -161.71 112.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 1.8 t -87.08 -57.3 3.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.923 0.392 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 41.1 t -72.31 146.59 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 171.43 -83.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 886' ' ' SER . 22.0 p -98.38 104.49 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 885' ' ' SER . 50.3 m 35.55 43.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -93.74 -121.14 3.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -138.68 126.96 22.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 55.6 ttm-85 -84.7 -57.29 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -97.41 -39.92 8.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -64.69 96.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -82.34 -66.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -108.73 55.36 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -119.15 17.94 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -68.34 -63.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 897' ' ' GLU . 73.7 ttt180 -73.69 -41.48 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 896' ' ' ARG . 5.4 mm-40 -36.98 -49.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -51.67 -57.78 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.706 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -50.09 -51.51 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.14 -67.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -48.72 -55.7 10.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -52.43 -39.22 60.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.657 ' CD2' HD13 ' A' ' 945' ' ' LEU . 17.4 t80 -57.37 -66.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . 0.49 ' HA ' HD12 ' A' ' 907' ' ' LEU . 22.8 mttm -46.56 -55.04 8.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.33 -40.47 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -65.58 -33.23 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 904' ' ' LYS . 34.0 mt -71.43 -32.78 68.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.9 t -81.87 -26.8 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -77.81 -36.17 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.0 mmm -98.37 -67.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.653 HG11 ' HE1' ' A' ' 946' ' ' PHE . 3.3 t -80.17 58.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . 0.65 ' O ' HD13 ' A' ' 953' ' ' LEU . 9.4 ttt180 -66.46 -27.54 67.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.0 m -80.98 172.69 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 6.4 p -125.82 0.09 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.51 26.83 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.523 HG21 ' CG1' ' A' ' 911' ' ' VAL . 18.2 m -109.48 168.54 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.3 t -115.29 152.41 32.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.522 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 19.4 t-105 -44.97 -68.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 55.7 p -38.27 -66.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -42.6 -49.93 5.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.419 HG23 HG21 ' A' ' 911' ' ' VAL . 35.0 m -55.57 -60.7 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.494 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 39.9 ttt180 -41.17 -49.61 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -64.91 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 89.0 m -64.46 -54.86 25.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 928' ' ' ASP . 18.4 mt -59.76 -50.53 73.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 925' ' ' LEU . 49.8 mtp180 -35.12 -56.14 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -47.65 -42.31 24.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -51.28 165.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . 0.406 ' CE1' ' OE2' ' A' ' 932' ' ' GLU . 1.8 t60 -92.0 -50.0 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 4.9 mmt180 -45.29 -46.53 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.409 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.0 t-105 -37.38 -39.5 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . 0.406 ' OE2' ' CE1' ' A' ' 929' ' ' HIS . 27.0 mt-10 -42.61 -50.42 5.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.5 m -68.64 -32.85 73.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.84 -13.25 6.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 936' ' ' LEU . 19.3 t -46.64 -44.15 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.873 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.706 HD12 ' HB2' ' A' ' 899' ' ' ALA . 33.3 mt -35.44 -59.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.68 174.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -117.84 157.16 27.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -39.93 -45.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.4 -52.08 65.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.83 -42.3 97.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -59.97 -51.35 70.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.3 -53.57 41.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -57.15 13.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.657 HD13 ' CD2' ' A' ' 903' ' ' PHE . 36.6 mt -47.39 -51.89 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.729 ' CE1' HD11 ' A' ' 950' ' ' ILE . 19.0 t80 -56.57 -64.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -42.74 -47.97 5.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -54.8 -48.34 72.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.402 ' NE2' HD11 ' A' ' 953' ' ' LEU . 80.0 t60 -57.93 -47.7 82.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.729 HD11 ' CE1' ' A' ' 946' ' ' PHE . 45.2 mm -52.88 -60.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 7.6 pt-20 -57.34 -38.72 74.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -58.51 -39.13 79.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 912' ' ' ARG . 67.5 mt -63.42 -55.67 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 64.6 p -44.99 -44.58 10.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -70.3 -66.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 957' ' ' LYS . 3.6 mmmm -38.81 -43.16 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 956' ' ' LYS . 25.7 tptt -37.4 138.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -138.42 159.86 41.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 960' ' ' SER . 9.3 tp10 -49.22 -56.07 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 959' ' ' GLU . 48.1 m -35.53 -62.84 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 50.27 81.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 172.56 12.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 19.1 m -115.73 -62.38 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 1.4 t -107.81 147.15 31.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 79.7 p -170.31 146.26 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 22.7 t -93.21 55.82 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 169.54 154.38 9.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 16.2 m -43.74 123.92 3.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 2.9 m -76.45 114.66 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -136.56 -171.1 12.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -131.55 -50.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 890' ' ' GLU . 0.0 OUTLIER -40.9 -45.44 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 889' ' ' ARG . 26.2 tt0 -37.98 -42.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 890' ' ' GLU . 22.7 ptt180 -37.86 -47.01 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -40.07 -55.13 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -98.87 42.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 895' ' ' LYS . 4.2 t60 -113.71 -54.56 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 894' ' ' HIS . 22.1 mmmt -37.44 -47.23 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -72.97 -49.15 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 900' ' ' ILE . 17.1 mm-40 -40.96 -52.3 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -48.87 -43.35 38.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 897' ' ' GLU . 84.1 mt -55.82 -60.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.68 -51.9 67.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -53.35 -43.69 67.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.499 ' HD2' HD13 ' A' ' 945' ' ' LEU . 17.8 t80 -56.19 -54.92 39.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 907' ' ' LEU . 28.0 mttm -49.04 -55.47 11.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.4 -43.9 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 12.6 tp -61.01 -41.19 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 904' ' ' LYS . 38.0 mt -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 43.2 t -78.58 -25.18 45.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -71.08 -38.78 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 41.5 mmm -98.61 -54.4 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.676 ' CG1' HG21 ' A' ' 916' ' ' VAL . 3.4 t -89.99 64.33 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -69.08 -6.33 27.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 26.3 m -102.12 175.31 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.9 p -121.2 -20.21 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -87.93 46.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.676 HG21 ' CG1' ' A' ' 911' ' ' VAL . 34.5 m -112.75 -176.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.5 t -120.73 156.69 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.551 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 13.1 t-105 -62.9 -44.68 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.2 m -63.72 -53.41 51.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.06 -47.51 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.502 ' CG2' HG21 ' A' ' 911' ' ' VAL . 61.7 m -64.48 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.551 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 56.6 ttt180 -34.87 -60.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 -58.28 -42.85 87.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 98.0 m -54.64 -26.58 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 17.9 mt -94.26 -33.63 13.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -48.69 -41.33 31.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -72.54 -29.69 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -59.64 170.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -93.83 -47.79 6.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.24 -33.32 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -39.94 -37.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -55.81 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 11.3 p -55.02 -39.29 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.0 6.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.5 t -51.37 -51.55 53.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . . . . . . . . . 29.2 mt -42.95 -38.31 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.7 mt -76.37 115.12 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 941' ' ' GLU . 15.5 pt-20 -64.59 154.53 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -37.89 -45.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -54.35 -43.72 71.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.499 ' O ' HD12 ' A' ' 945' ' ' LEU . 12.1 mm-40 -69.65 -36.1 75.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -66.43 -49.0 68.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.11 -57.36 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -61.05 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.499 HD13 ' HD2' ' A' ' 903' ' ' PHE . 32.1 mt -43.57 -48.87 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 950' ' ' ILE . 43.6 t80 -53.34 -55.47 24.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -52.36 -47.44 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -50.75 -48.0 59.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.541 ' NE2' HD11 ' A' ' 953' ' ' LEU . 53.5 t60 -58.65 -63.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 946' ' ' PHE . 25.2 mm -37.33 -47.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.95 -48.19 79.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.44 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.541 HD11 ' NE2' ' A' ' 949' ' ' HIS . 87.3 mt -56.78 -55.38 35.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 61.0 p -64.99 -61.67 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -38.8 -44.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -71.48 -57.0 4.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 958' ' ' ARG . 8.6 mtpm? -39.68 149.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . 0.54 ' N ' ' NE ' ' A' ' 958' ' ' ARG . 0.0 OUTLIER -37.99 115.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -139.98 160.22 40.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 10.2 t -63.91 86.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 131.64 79.37 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 160.67 48.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 66.3 p -105.34 -64.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 68.6 m -150.1 173.93 13.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 64.6 p -138.35 137.31 37.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 29.5 t -67.69 136.82 54.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -77.54 156.24 44.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 886' ' ' SER . 23.8 m -56.81 112.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 885' ' ' SER . 35.1 p -38.44 143.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 150.71 -142.61 9.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.463 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 891' ' ' ARG . 0.7 OUTLIER -59.68 -44.77 93.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -45.26 -48.03 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -66.82 -23.4 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 888' ' ' ASP . 23.0 ttp180 -97.76 39.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -84.29 -50.37 7.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -118.63 38.23 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -68.99 -40.45 78.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.92 -38.66 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.578 ' HA ' HD13 ' A' ' 936' ' ' LEU . 23.9 ttm180 -87.34 -49.66 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -39.58 -59.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 899' ' ' ALA . 11.8 pt-20 -41.3 -51.68 3.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.742 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -54.13 -50.7 66.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 95.3 mt -52.89 -65.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -50.42 -53.53 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -55.27 -37.56 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.638 ' CD2' HD13 ' A' ' 945' ' ' LEU . 33.3 t80 -58.35 -49.17 78.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -60.05 -47.77 84.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.2 84.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 11.8 tp -64.63 -34.92 79.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 911' ' ' VAL . 81.8 mt -65.78 -47.9 73.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 30.0 t -61.42 -47.36 86.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.02 -65.55 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 71.9 mmm -64.37 -55.67 19.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.533 HG21 HG23 ' A' ' 921' ' ' THR . 15.5 t -102.24 69.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 8.1 ttp-105 -75.45 -26.04 57.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -83.02 163.22 21.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . 0.492 ' HA ' HD12 ' A' ' 950' ' ' ILE . 5.3 p -120.61 19.81 11.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -110.08 33.08 4.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.1 173.04 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.1 t -111.18 158.83 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.442 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.9 t-105 -53.73 -56.0 21.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 5.2 t -48.57 -67.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 58.2 m-20 -38.8 -51.19 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.533 HG23 HG21 ' A' ' 911' ' ' VAL . 97.9 m -58.87 -45.48 90.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.442 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 7.0 ttt-85 -53.59 -46.06 70.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 26.9 ptt180 -73.15 -24.68 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.8 m -75.12 -41.9 57.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 24.0 mt -80.06 -37.6 33.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 -49.35 -47.42 47.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -65.37 -30.31 71.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -58.0 159.27 5.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.81 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -79.56 -58.83 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.9 mtt180 -42.27 -42.39 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.54 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 6.6 t-105 -34.5 -42.43 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -37.92 -57.31 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 8.9 t -59.74 -43.95 94.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.0 -14.7 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 85.5 p -53.02 -39.32 63.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.742 HD12 ' HB2' ' A' ' 899' ' ' ALA . 24.7 mt -40.34 -42.24 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.24 175.1 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.7 pt-20 -121.15 148.12 44.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 938' ' ' GLU . 10.1 ptt180 -35.01 -44.7 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.41 -61.0 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.91 -46.52 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.54 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 20.5 mtpp -56.11 -61.48 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.89 -47.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -59.06 -50.02 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.638 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -52.04 -60.09 3.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.459 ' CZ ' HG13 ' A' ' 950' ' ' ILE . 21.7 t80 -49.87 -59.45 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -46.65 -44.4 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.34 -52.03 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.593 ' NE2' HD11 ' A' ' 953' ' ' LEU . 71.7 t60 -53.36 -54.54 35.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 914' ' ' SER . 26.1 mm -54.75 -55.58 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -52.41 -39.27 60.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.49 -53.59 52.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.593 HD11 ' NE2' ' A' ' 949' ' ' HIS . 31.9 mt -47.17 -63.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 18.3 p -45.72 -54.06 8.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -51.99 -47.2 64.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -62.23 -57.47 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -41.88 151.03 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 958' ' ' ARG . 16.7 mtm105 -67.83 169.03 10.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.89 -60.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 73.3 m -124.13 125.87 45.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -67.86 -84.23 0.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.443 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -177.8 2.04 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 77.8 p -155.22 129.25 8.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 4.1 m -82.09 116.71 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 34.2 p -135.24 149.15 49.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 37.6 m -108.24 98.38 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -153.61 130.45 2.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 57.9 m -107.37 93.78 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 43.7 p -107.01 155.62 19.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 107.23 144.94 11.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.09 -41.42 3.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -63.83 -35.54 80.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . 0.442 ' HG2' ' CE1' ' A' ' 894' ' ' HIS . 10.6 tt0 -74.81 -20.55 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -78.91 -9.99 59.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -82.24 -19.47 39.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -121.99 26.01 8.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.442 ' CE1' ' HG2' ' A' ' 890' ' ' GLU . 11.7 m170 -113.56 38.25 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -63.33 -67.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' A' ' 936' ' ' LEU . 27.7 ttm180 -67.04 -53.57 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -39.97 -43.92 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -59.3 -45.55 90.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.728 ' CB ' HD12 ' A' ' 936' ' ' LEU . . . -60.3 -44.08 95.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.65 -62.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -54.96 -45.33 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -58.93 -43.14 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -56.24 -50.84 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -54.42 -56.56 17.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.33 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.54 -36.62 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 911' ' ' VAL . 56.7 mt -61.84 -48.5 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 24.6 t -62.71 -49.93 73.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.05 -46.98 84.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 70.7 mmm -78.95 -21.77 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 907' ' ' LEU . 13.2 t -127.65 92.76 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -93.75 -2.57 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.8 m -102.62 179.08 4.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 99.7 p -128.27 -30.48 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.73 44.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 29.0 m -101.55 -175.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 23.4 m -118.31 142.18 47.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -57.53 -39.31 76.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 17.0 m -65.65 -43.45 89.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -55.85 -54.87 39.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 44.0 m -66.47 -50.6 62.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -42.12 -45.11 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -75.97 -45.14 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 58.0 m -49.92 -48.27 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 928' ' ' ASP . 24.1 mt -66.86 -48.54 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 931' ' ' TRP . 9.0 mtp-105 -43.96 -28.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -82.24 -33.58 29.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 925' ' ' LEU . 30.5 t0 -56.71 174.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -91.39 -46.84 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.62 -35.51 65.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 926' ' ' ARG . 9.8 t-105 -43.44 -34.86 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.83 -55.34 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.5 t -60.21 -29.65 68.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.75 -12.64 28.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.3 m -51.28 -43.01 61.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.728 HD12 ' CB ' ' A' ' 899' ' ' ALA . 16.6 mt -40.53 -44.13 2.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.24 161.48 29.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 939' ' ' ARG . 14.6 pt-20 -111.42 155.92 22.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 48.0 mtm-85 -37.18 -43.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -57.89 -55.44 34.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.74 -44.55 90.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -56.38 -52.62 63.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -59.36 -56.18 25.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -44.38 -52.81 7.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 946' ' ' PHE . 40.1 mt -58.52 -66.47 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 945' ' ' LEU . 42.7 t80 -36.05 -35.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -68.87 -58.25 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 4.9 pt-20 -52.46 -46.77 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.551 ' O ' ' HB3' ' A' ' 952' ' ' ALA . 19.6 t60 -55.55 -64.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 19.9 mm -42.41 -63.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 6.3 pt-20 -52.48 -30.87 32.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -66.29 -35.39 80.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.88 -43.91 94.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 41.3 p -62.95 -60.26 3.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.41 -47.84 5.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 957' ' ' LYS . 0.0 OUTLIER -56.36 -47.38 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 956' ' ' LYS . 37.1 tttp -34.56 -57.35 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -70.86 76.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -126.2 131.87 51.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 68.0 m -74.27 -52.28 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -130.77 83.39 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 148.96 66.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.733 2.289 . . . . 0.0 112.333 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 20.4 p -103.1 -17.53 15.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 59.6 p -76.19 123.54 26.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.5 t -59.06 -54.36 47.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.368 . . . . 0.0 110.82 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 20.0 m -93.78 -49.11 5.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 72.48 169.05 12.46 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 28.0 t -158.54 149.42 20.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 12.6 m -93.29 95.37 9.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -148.44 157.82 27.45 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -46.24 -30.69 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -47.48 -35.9 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.63 -40.16 62.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 891' ' ' ARG . 0.3 OUTLIER -38.46 -44.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 891' ' ' ARG . 21.8 tt0 -53.28 -59.65 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -97.62 40.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -77.11 -51.22 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -38.78 -47.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 936' ' ' LEU . 8.4 ttm105 -68.49 -54.15 18.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -40.43 -48.71 2.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.33 -47.68 72.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.681 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -57.49 -43.36 84.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.427 HG22 ' HE3' ' A' ' 904' ' ' LYS . 92.6 mt -57.05 -66.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.75 -50.87 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -56.35 -37.72 70.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 907' ' ' LEU . 25.4 t80 -60.38 -46.99 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . 0.427 ' HE3' HG22 ' A' ' 900' ' ' ILE . 43.6 mttt -58.4 -50.37 73.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.27 93.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.84 -41.93 98.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 903' ' ' PHE . 66.4 mt -58.51 -47.86 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 22.7 t -62.6 -45.45 92.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 -60.24 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 3.9 mmt -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -119.97 93.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -94.13 -7.58 41.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 23.6 m -97.59 -175.41 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . 0.422 ' HA ' HG23 ' A' ' 950' ' ' ILE . 11.7 p -131.67 -33.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -84.58 43.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 22.6 m -103.71 170.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 9.4 m -108.27 140.98 40.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -49.46 -48.96 47.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 15.4 t -47.97 -63.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -45.22 -51.66 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 922' ' ' ARG . 19.6 m -57.55 -65.31 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 921' ' ' THR . 11.4 ttt85 -36.75 -48.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -52.84 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 99.7 m -43.89 -36.52 2.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.461 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 16.7 mt -83.43 -45.0 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 925' ' ' LEU . 17.2 mtp85 -36.31 -52.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -64.68 -39.25 93.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 925' ' ' LEU . 22.9 t0 -51.89 140.5 19.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -64.69 -54.33 33.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 931' ' ' TRP . 63.1 mtt180 -42.62 -50.83 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.547 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -37.8 -44.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -41.15 -58.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 18.9 m -54.84 -36.92 65.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.43 -13.4 3.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 12.4 t -39.72 -44.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.681 HD12 ' HB2' ' A' ' 899' ' ' ALA . 16.9 mt -40.92 -43.99 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.57 174.18 5.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -126.65 165.28 19.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -49.31 -25.62 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -75.47 -47.28 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.517 ' O ' HD12 ' A' ' 945' ' ' LEU . 6.6 mm-40 -70.11 -34.45 73.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.547 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 45.5 mttm -70.55 -44.01 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -68.78 -51.04 45.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -58.66 -56.77 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 941' ' ' GLU . 27.9 mt -50.94 -49.14 60.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.401 ' CD1' HG21 ' A' ' 921' ' ' THR . 38.8 t80 -53.14 -60.61 3.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -48.44 -44.94 35.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -56.17 -47.25 78.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.682 ' NE2' HD11 ' A' ' 953' ' ' LEU . 22.4 t60 -56.3 -46.13 79.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.422 HG23 ' HA ' ' A' ' 914' ' ' SER . 27.0 mm -59.65 -41.66 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.04 -47.95 80.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.39 85.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.682 HD11 ' NE2' ' A' ' 949' ' ' HIS . 81.1 mt -51.17 -52.13 47.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 43.1 p -67.86 -61.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -40.33 -50.04 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -64.4 -59.08 4.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -41.64 -63.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 958' ' ' ARG . 12.5 mtp-105 -79.47 52.36 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -54.27 157.81 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 4.1 t -137.51 108.96 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 138.39 162.08 9.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -19.41 36.15 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.336 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 43.1 t -64.61 121.21 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 48.1 t -98.46 156.39 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 14.5 t -120.82 154.22 36.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 15.6 t -134.41 101.72 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -75.51 154.56 45.88 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 39.3 m -70.92 -50.62 32.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 61.2 p -154.97 169.53 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 83.35 108.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.534 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -46.4 108.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.86 -59.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -84.29 -30.61 25.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 891' ' ' ARG . 7.6 mtp-105 -89.39 44.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -54.25 -66.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -108.93 78.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -128.59 -43.01 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.16 -36.98 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.63 ' HA ' HD13 ' A' ' 936' ' ' LEU . 47.5 ttt85 -84.26 -36.87 22.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.13 -45.02 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -53.31 -51.68 61.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.828 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -54.44 -49.39 70.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.3 -63.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -54.22 -49.78 68.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -59.84 -26.79 66.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.662 ' CE2' HD11 ' A' ' 907' ' ' LEU . 28.7 t80 -69.35 -66.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . 0.609 ' HD2' HD22 ' A' ' 945' ' ' LEU . 0.0 OUTLIER -46.5 -47.02 19.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.39 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.594 HD21 HD22 ' A' ' 925' ' ' LEU . 13.0 tp -62.72 -41.84 99.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.662 HD11 ' CE2' ' A' ' 903' ' ' PHE . 88.2 mt -59.84 -42.04 92.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 33.0 t -67.77 -34.21 76.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.03 -62.85 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 36.6 mmm -66.94 -48.44 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 1.022 HG21 HG23 ' A' ' 921' ' ' THR . 21.8 t -107.19 71.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 912' ' ' ARG . 6.4 tmm_? -82.69 -26.36 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 29.2 t -67.71 160.54 27.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 83.1 p -112.65 -8.81 13.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -104.39 46.85 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.528 HG21 HG13 ' A' ' 911' ' ' VAL . 3.5 m -123.76 147.46 28.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.093 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 20.3 p -92.62 159.52 15.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 17.6 t-105 -57.4 -54.87 41.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 16.1 t -41.2 -49.21 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.14 -61.34 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 1.022 HG23 HG21 ' A' ' 911' ' ' VAL . 89.1 m -42.16 -47.14 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.146 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -59.0 -57.48 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -57.01 -15.25 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 66.4 m -87.04 -58.61 2.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.594 HD22 HD21 ' A' ' 906' ' ' LEU . 18.1 mt -63.75 -35.33 80.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -45.96 -60.09 2.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -59.79 -30.76 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.16 158.32 11.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -77.96 -55.11 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.2 mpt_? -38.38 -56.46 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.476 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 41.1 t-105 -34.56 -46.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -41.2 -59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 5.4 m -58.47 -39.98 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 935' ' ' SER . . . -55.41 -14.29 6.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 934' ' ' GLY . 3.6 m -36.99 -38.84 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.828 HD12 ' HB2' ' A' ' 899' ' ' ALA . 23.5 mt -42.03 -49.59 4.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.93 170.06 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -119.84 152.12 37.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 939' ' ' ARG . 3.6 tmm_? -39.92 -41.51 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -60.66 -55.06 37.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.476 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 67.3 mttt -59.11 -49.82 76.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -51.03 -59.15 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -54.09 -61.97 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.609 HD22 ' HD2' ' A' ' 904' ' ' LYS . 34.4 mt -38.8 -47.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 918' ' ' TRP . 19.5 t80 -59.89 -50.33 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -56.09 -49.25 74.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.46 -44.76 85.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.487 ' CE1' HD21 ' A' ' 953' ' ' LEU . 32.8 t60 -54.66 -55.65 27.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.666 ' HA ' HD12 ' A' ' 953' ' ' LEU . 16.5 mm -53.84 -67.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.1 -35.27 3.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.0 -51.06 51.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 950' ' ' ILE . 41.6 mt -38.81 -63.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 23.9 p -53.54 -56.51 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -38.08 -49.19 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 957' ' ' LYS . 15.0 mmmt -73.81 -57.81 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 956' ' ' LYS . 36.4 tttt -34.52 144.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -37.76 140.09 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 960' ' ' SER . 54.7 mm-40 -137.63 167.68 21.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 959' ' ' GLU . 20.4 m -34.79 -45.1 0.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -121.55 147.67 17.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.06 8.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.64 2.226 . . . . 0.0 112.369 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 2.6 m -169.19 138.46 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 30.4 p -55.52 170.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 55.9 p -117.69 131.39 56.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 69.5 m -98.98 169.34 9.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -179.2 -77.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 4.0 m -104.11 121.15 42.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 71.1 m -74.2 150.26 40.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -115.75 -179.36 18.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -104.69 38.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 12.5 mmt-85 -61.89 -58.94 6.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -126.7 100.77 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -109.13 -26.37 10.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -80.84 -39.79 25.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -94.24 40.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 897' ' ' GLU . 5.2 t-80 -116.28 41.23 2.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -80.69 -56.94 3.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -78.17 -40.54 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 894' ' ' HIS . 5.1 mm-40 -38.72 -54.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.38 -43.46 23.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.686 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -62.44 -46.6 87.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.07 -63.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -54.29 -48.28 71.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -55.24 -51.26 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -50.42 -61.31 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . 0.431 ' HA ' HD12 ' A' ' 907' ' ' LEU . 6.5 mtmp? -44.87 -59.47 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -49.33 -40.65 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.506 ' CD2' HD22 ' A' ' 925' ' ' LEU . 20.9 tp -66.24 -44.17 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.803 ' CD2' HD11 ' A' ' 925' ' ' LEU . 66.6 mt -55.71 -37.06 67.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.952 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 16.6 m -75.73 -38.99 58.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -66.14 -39.75 90.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 49.2 mmm -95.81 -52.86 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.971 HG21 HG23 ' A' ' 921' ' ' THR . 34.0 t -101.07 60.47 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -64.7 -27.99 69.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 49.6 m -69.33 175.85 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 93.9 p -124.27 -31.93 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.32 44.65 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.538 HG21 ' CG1' ' A' ' 911' ' ' VAL . 34.0 m -107.95 168.76 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 10.4 t -102.21 151.49 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.56 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 3.6 t-105 -54.42 -52.51 61.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 10.5 t -55.08 -57.81 10.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -43.79 -50.05 7.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.971 HG23 HG21 ' A' ' 911' ' ' VAL . 88.0 m -57.96 -52.83 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.56 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 34.4 ttt-85 -44.29 -62.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . 0.405 ' HB2' ' NH2' ' A' ' 926' ' ' ARG . 47.9 ttt180 -54.54 -51.63 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 56.0 m -43.03 -37.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.803 HD11 ' CD2' ' A' ' 907' ' ' LEU . 26.1 mt -87.39 -41.25 13.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.405 ' NH2' ' HB2' ' A' ' 923' ' ' ARG . 50.9 mtm180 -46.95 -52.95 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -35.0 78.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -55.61 168.41 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 930' ' ' ARG . 2.7 m-70 -87.4 -57.08 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 931' ' ' TRP . 7.4 mpt_? -37.17 -41.69 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.563 ' CH2' ' HE2' ' A' ' 942' ' ' LYS . 21.8 t-105 -34.58 -46.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 931' ' ' TRP . 15.4 mt-10 -35.04 -62.28 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.1 m -61.76 -40.89 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.56 -14.73 3.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.3 m -47.49 -41.89 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 899' ' ' ALA . 38.9 mt -41.94 -46.39 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 69.7 mt -66.22 137.16 56.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 940' ' ' GLU . 9.9 pt-20 -87.25 150.22 24.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.0 OUTLIER -36.11 -31.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 938' ' ' GLU . 1.9 tp10 -69.88 -49.03 56.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 938' ' ' GLU . 3.9 mm-40 -58.88 -35.26 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.563 ' HE2' ' CH2' ' A' ' 931' ' ' TRP . 40.2 mttp -67.85 -50.05 58.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -57.0 -47.22 81.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -67.63 -64.23 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 21.4 mt -42.32 -49.92 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 921' ' ' THR . 31.2 t80 -56.57 -51.84 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -52.31 -51.75 56.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.58 -50.3 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -50.05 -51.69 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 953' ' ' LEU . 14.6 mm -56.08 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -44.36 -44.75 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.66 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 950' ' ' ILE . 72.1 mt -50.33 -61.65 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 35.5 p -51.83 -63.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -42.09 -53.77 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 957' ' ' LYS . 0.2 OUTLIER -51.02 -54.77 21.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 956' ' ' LYS . 66.6 tttt -36.24 -54.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -48.26 143.26 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -40.71 155.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 74.9 p -109.63 169.53 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -117.39 163.55 12.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.92 68.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 4.5 m -98.21 -41.52 7.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 21.7 m 44.49 27.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 57.0 m -143.17 168.68 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 78.5 p -125.67 -50.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 132.74 -126.53 4.5 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 20.6 m -91.3 162.85 14.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 43.1 m -113.59 43.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 168.29 142.51 3.51 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -90.38 -18.02 26.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 889' ' ' ARG . 18.4 ttp-105 -72.15 -21.63 61.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 894' ' ' HIS . 44.2 mt-10 -68.46 -8.76 43.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -62.88 -9.12 8.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.42 -48.39 34.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -110.94 32.95 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 890' ' ' GLU . 0.2 OUTLIER -119.52 41.81 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -82.82 -63.88 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 896' ' ' ARG . 19.9 ttp-105 -71.84 -42.92 66.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.19 -56.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.99 -48.58 43.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.464 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -56.49 -43.79 80.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 98.4 mt -57.65 -64.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -54.68 -47.55 73.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -56.4 -40.02 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.459 ' CE2' HD11 ' A' ' 907' ' ' LEU . 31.0 t80 -59.86 -54.62 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . 0.419 ' CE ' HD22 ' A' ' 945' ' ' LEU . 0.4 OUTLIER -50.05 -50.48 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.08 74.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.52 -33.26 74.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 903' ' ' PHE . 43.7 mt -69.12 -42.89 75.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.412 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 27.0 t -74.57 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.51 -42.7 70.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 16.2 mmm -95.61 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.594 HG21 HG23 ' A' ' 921' ' ' THR . 2.7 t -83.13 55.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -64.37 -20.84 66.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 2.9 m -84.52 167.75 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.2 p -123.92 11.27 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -111.55 37.44 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 911' ' ' VAL . 11.0 m -116.33 175.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 16.6 m -112.99 152.88 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 9.5 t-105 -53.81 -56.06 20.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 9.0 m -44.6 -63.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -49.18 -39.17 28.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.594 HG23 HG21 ' A' ' 911' ' ' VAL . 98.8 m -65.63 -44.87 85.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 31.0 ttt-85 -59.08 -51.25 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -67.64 -24.82 65.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 8.6 m -69.74 -50.41 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.535 ' HB2' ' CE3' ' A' ' 931' ' ' TRP . 22.1 mt -75.38 -45.55 38.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.477 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 45.9 mtp85 -36.8 -53.32 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -35.62 81.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 34.0 t70 -53.0 156.49 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -75.22 -60.27 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 931' ' ' TRP . 35.1 mtt85 -42.11 -52.68 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 925' ' ' LEU . 14.8 t-105 -36.49 -43.53 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 931' ' ' TRP . 16.1 tt0 -36.18 -61.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 12.0 m -53.95 -38.9 65.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -52.9 -14.45 2.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -46.57 -31.69 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 899' ' ' ALA . 32.4 mt -48.16 -42.86 30.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . 0.939 HD22 ' OE1' ' A' ' 941' ' ' GLU . 14.7 mt -67.3 175.79 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 9.8 pt-20 -122.14 148.46 44.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 33.0 mtt180 -35.33 -43.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.942 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.08 -59.88 4.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.939 ' OE1' HD22 ' A' ' 937' ' ' LEU . 8.3 tm-20 -53.05 -42.56 65.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -59.52 -59.89 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -47.1 -48.67 22.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -57.92 -51.35 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.44 HD11 ' OE2' ' A' ' 941' ' ' GLU . 71.6 mt -51.36 -61.07 2.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.513 ' CD1' HG21 ' A' ' 921' ' ' THR . 21.5 t80 -46.44 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -42.18 -51.59 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -55.68 -45.21 77.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.437 ' NE2' HD11 ' A' ' 953' ' ' LEU . 68.2 t60 -56.79 -48.62 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 32.6 mm -61.61 -52.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -56.37 -39.66 73.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.56 92.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.437 HD11 ' NE2' ' A' ' 949' ' ' HIS . 67.1 mt -61.95 -59.32 5.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 72.8 p -40.36 -46.02 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -72.27 -46.21 56.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.924 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 957' ' ' LYS . 8.3 tmtm? -49.56 -54.86 15.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 956' ' ' LYS . 20.8 tttp -34.98 134.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 957' ' ' LYS . 15.2 tpp180 -37.14 126.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -128.82 -179.59 5.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 5.8 m -46.56 -50.67 16.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -70.77 146.35 41.62 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 147.55 62.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 36.8 m -166.32 141.74 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 6.8 t -146.45 150.24 35.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.3 t -127.5 117.73 22.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.861 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 49.1 m -41.82 133.5 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 138.74 94.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 74.4 m -94.67 149.61 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.383 . . . . 0.0 110.819 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 41.4 p -88.08 142.3 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 147.75 93.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -43.13 -43.39 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -36.07 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 892' ' ' GLU . 69.1 mt-10 -81.28 -44.88 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -40.72 -26.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 890' ' ' GLU . 15.4 tm-20 -60.07 -66.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -76.81 -41.73 43.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -45.26 -37.15 4.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -58.41 -38.88 78.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 897' ' ' GLU . 46.4 ttp180 -77.45 -41.86 38.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 896' ' ' ARG . 8.8 mm-40 -35.28 -65.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -41.56 -45.78 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.556 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.55 -43.7 93.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 76.9 mt -59.31 -60.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.89 -48.77 78.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -55.77 -41.44 74.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.729 ' CD2' HD13 ' A' ' 945' ' ' LEU . 28.8 t80 -58.84 -49.85 76.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -55.86 -50.07 71.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -55.95 -48.84 75.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 10.8 tp -55.87 -43.63 77.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.478 HD23 HD11 ' A' ' 925' ' ' LEU . 58.6 mt -56.53 -49.63 74.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.472 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 17.1 t -60.61 -55.95 27.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.82 -64.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 40.2 mmm -61.07 -58.25 9.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.473 HG21 HG23 ' A' ' 921' ' ' THR . 5.8 t -101.01 72.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -75.13 -23.11 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.9 m -77.85 167.97 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 91.3 p -128.58 17.38 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -115.06 33.44 5.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 27.8 m -115.73 171.59 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 68.8 m -108.56 156.68 19.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.49 ' CD1' ' HG3' ' A' ' 943' ' ' GLU . 23.2 t-105 -56.16 -68.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 918' ' ' TRP . 8.8 m -35.45 -62.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.457 ' O ' ' CG ' ' A' ' 923' ' ' ARG . 9.7 t0 -49.25 -43.19 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.476 HG21 ' CD1' ' A' ' 946' ' ' PHE . 52.9 m -63.33 -42.09 98.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.466 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 17.0 ttt-85 -58.45 -52.59 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 920' ' ' ASP . 8.8 ptp180 -58.0 -39.99 79.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . 0.412 ' N ' ' HG3' ' A' ' 923' ' ' ARG . 75.1 m -61.49 -68.12 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.478 HD11 HD23 ' A' ' 907' ' ' LEU . 61.8 mt -47.25 -47.41 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 925' ' ' LEU . 38.7 mtp180 -37.01 -66.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -43.76 -42.06 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 925' ' ' LEU . 17.7 t0 -43.69 165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -91.11 -51.15 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.474 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 5.4 mpt_? -48.4 -44.18 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -38.85 -34.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -45.92 -53.22 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.7 m -65.06 -36.22 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.19 -14.39 11.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.1 m -45.48 -38.1 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 899' ' ' ALA . 41.4 mt -41.29 -52.55 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . 0.403 ' O ' ' NZ ' ' A' ' 942' ' ' LYS . 14.8 mt -60.89 164.82 4.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.1 pt-20 -110.44 149.97 29.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 5.5 ttt180 -35.79 -43.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.35 -56.64 18.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -56.66 -44.27 81.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 937' ' ' LEU . 49.2 mttp -57.4 -59.14 5.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . 0.49 ' HG3' ' CD1' ' A' ' 918' ' ' TRP . 10.3 tt0 -51.78 -45.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -58.61 -47.53 84.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 903' ' ' PHE . 39.2 mt -54.43 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 950' ' ' ILE . 27.3 t80 -47.66 -62.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -41.52 -48.63 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -60.61 -42.49 96.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.513 ' NE2' HD11 ' A' ' 953' ' ' LEU . 48.5 t60 -58.83 -54.69 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 946' ' ' PHE . 38.4 mm -51.46 -53.07 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.87 -43.84 90.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -55.65 -38.36 69.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.513 HD11 ' NE2' ' A' ' 949' ' ' HIS . 49.5 mt -66.75 -59.68 3.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 11.8 p -46.49 -50.68 16.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 956' ' ' LYS . 14.4 ttmt -67.36 -66.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 955' ' ' LYS . 15.2 mmmt -35.05 -52.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -40.45 132.64 2.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -97.32 88.6 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.48 85.88 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 12.7 t 52.5 41.49 30.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -79.02 150.17 33.66 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 97.19 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 17.6 t -78.04 91.55 4.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 3.1 m 58.6 41.81 21.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 31.5 p -37.77 129.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 67.1 m -103.54 -51.49 3.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -86.46 172.03 44.41 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 25.2 p -126.3 134.91 51.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 2.4 m -92.34 94.31 9.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -152.08 -159.62 9.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.05 115.78 3.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -118.85 -65.35 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -19.08 35.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 44.3 ttt-85 -64.89 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -59.15 -34.84 72.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -118.79 45.44 2.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -97.42 37.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 895' ' ' LYS . 0.9 OUTLIER -81.19 -52.26 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.495 ' HA ' HD13 ' A' ' 936' ' ' LEU . 30.9 ttm-85 -81.92 -47.81 12.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 900' ' ' ILE . 18.0 mm-40 -35.16 -58.91 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -49.33 -45.83 45.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.551 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.5 -43.36 93.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 897' ' ' GLU . 72.5 mt -57.66 -62.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -56.46 -47.3 79.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -58.28 -43.0 87.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 907' ' ' LEU . 15.9 t80 -55.18 -57.37 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.11 -59.93 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.15 -39.73 60.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.92 -38.21 88.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.67 HD11 ' CE2' ' A' ' 903' ' ' PHE . 37.7 mt -68.26 -32.22 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 28.9 t -82.9 -26.92 31.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.71 -41.17 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 42.9 mmm -94.7 -66.96 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.616 ' CG1' HG21 ' A' ' 916' ' ' VAL . 3.1 t -77.3 53.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.151 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -62.26 -13.94 33.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 38.4 m -83.13 173.57 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 86.7 p -121.78 -35.39 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -80.61 47.59 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.616 HG21 ' CG1' ' A' ' 911' ' ' VAL . 30.4 m -112.97 168.67 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 4.5 m -107.42 147.31 30.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.28 -59.51 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 4.8 t -46.93 -51.58 16.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.77 -54.8 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.592 ' CG2' HG21 ' A' ' 911' ' ' VAL . 48.0 m -61.81 -43.61 98.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -44.72 -58.9 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -62.62 -49.6 74.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 59.7 m -42.71 -51.42 5.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 928' ' ' ASP . 33.9 mt -67.31 -52.06 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.455 ' HA ' ' CD1' ' A' ' 931' ' ' TRP . 34.4 mtt180 -34.76 -55.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -56.99 -40.54 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 925' ' ' LEU . 29.3 t0 -50.13 172.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -89.26 -55.07 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 8.1 mpt_? -44.43 -49.75 9.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.455 ' CD1' ' HA ' ' A' ' 926' ' ' ARG . 21.4 t-105 -35.89 -39.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -47.64 -55.37 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 10.3 m -67.46 -36.66 81.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -55.69 -13.52 6.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 936' ' ' LEU . 9.0 m -40.8 -43.95 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.837 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 899' ' ' ALA . 30.9 mt -36.79 -50.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 18.3 mt -64.67 127.23 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 941' ' ' GLU . 7.6 pt-20 -77.5 154.2 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 938' ' ' GLU . 4.7 ttm105 -36.8 -43.55 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.72 -49.18 75.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 938' ' ' GLU . 8.6 mm-40 -61.83 -43.73 98.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.427 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 35.8 mttm -61.95 -41.69 98.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.69 -55.07 19.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -59.8 -56.46 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.519 HD13 ' CD2' ' A' ' 903' ' ' PHE . 30.2 mt -46.52 -53.77 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.495 ' CE1' HD11 ' A' ' 950' ' ' ILE . 28.8 t80 -51.12 -58.63 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -48.02 -47.8 33.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -52.31 -44.19 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.443 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 73.9 t60 -60.98 -52.42 65.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 946' ' ' PHE . 42.9 mm -54.32 -65.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 11.4 pt-20 -46.96 -43.22 19.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -55.15 -45.14 75.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 42.1 mt -59.33 -54.12 50.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 955' ' ' LYS . 32.3 p -64.56 -67.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 954' ' ' THR . 0.2 OUTLIER -34.85 -45.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -69.33 -59.82 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -47.3 124.64 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -119.75 164.85 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -47.83 109.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 4.1 m 59.93 43.95 14.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -101.97 158.04 18.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.53 21.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 49.3 m -147.78 170.89 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 90.3 p -87.52 171.35 10.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 62.6 p -104.14 101.12 10.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 80.6 p -170.36 153.95 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -156.85 47.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 86.9 p 42.3 42.59 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 23.1 m -84.86 94.63 8.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 50.6 -160.11 1.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.09 106.55 17.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 36.2 ttp85 -104.04 -43.79 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -113.09 -47.0 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -44.26 -24.89 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.6 -64.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -103.77 53.43 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.452 ' CG ' ' N ' ' A' ' 895' ' ' LYS . 4.9 p-80 -82.09 -42.17 19.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . 0.452 ' N ' ' CG ' ' A' ' 894' ' ' HIS . 30.4 mmtm -39.82 -39.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.487 ' HA ' HD13 ' A' ' 936' ' ' LEU . 20.6 ttp180 -79.59 -46.36 17.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -39.36 -51.54 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -50.15 -54.6 19.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -51.98 -46.83 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 87.2 mt -54.22 -67.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -50.56 -53.02 33.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -53.93 -35.46 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.518 ' HD2' HD13 ' A' ' 945' ' ' LEU . 13.1 t80 -62.34 -53.66 51.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . 0.451 ' HA ' HD12 ' A' ' 907' ' ' LEU . 58.4 mttt -53.01 -55.34 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.3 -44.98 65.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.7 tp -62.11 -45.85 91.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 904' ' ' LYS . 48.5 mt -54.86 -41.06 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 29.5 t -67.63 -43.49 80.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.72 -63.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . 0.41 ' CE ' HG22 ' A' ' 924' ' ' THR . 8.9 mmm -60.87 -45.67 93.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.4 t -107.44 88.05 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 33.0 ptt-85 -87.48 -9.9 53.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 10.3 m -99.1 -176.61 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . 0.413 ' HA ' HG23 ' A' ' 950' ' ' ILE . 74.4 p -127.18 -30.99 2.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.67 45.18 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.469 HG23 ' HZ ' ' A' ' 946' ' ' PHE . 27.7 m -103.48 -176.08 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.4 m -124.95 134.32 52.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.448 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 9.6 t-105 -42.93 -54.15 4.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 78.3 p -50.65 -59.53 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -43.56 -54.34 4.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 924' ' ' THR . 74.4 m -52.53 -63.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.448 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 10.3 ttt-85 -39.56 -48.76 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -62.22 -34.01 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 921' ' ' THR . 39.5 m -71.6 -47.08 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 928' ' ' ASP . 21.2 mt -67.57 -48.94 65.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 925' ' ' LEU . 24.4 mtp180 -34.53 -56.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.47 -39.58 91.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.4 t70 -44.61 160.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -86.05 -55.87 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -48.01 -32.73 6.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -44.27 -30.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -50.57 -55.62 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 p -59.18 -40.56 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -53.57 -14.17 3.41 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 29.3 m -49.14 -46.98 45.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.831 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 896' ' ' ARG . 40.8 mt -38.49 -52.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.36 177.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 939' ' ' ARG . 21.9 pt-20 -133.21 155.72 48.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 938' ' ' GLU . 11.7 ptm180 -35.19 -41.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.6 -55.61 32.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -63.03 -45.56 91.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -55.44 -50.59 69.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.55 -60.41 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -50.79 -59.75 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.518 HD13 ' HD2' ' A' ' 903' ' ' PHE . 21.1 mt -43.7 -47.62 7.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 950' ' ' ILE . 54.1 t80 -54.81 -56.64 17.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -48.03 -48.0 33.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.59 -55.11 32.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 953' ' ' LEU . 23.0 t60 -46.35 -60.7 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.524 HD11 ' CE1' ' A' ' 946' ' ' PHE . 16.7 mm -46.44 -54.15 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -53.66 -39.17 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.95 75.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 949' ' ' HIS . 60.5 mt -53.15 -55.51 23.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 955' ' ' LYS . 26.2 p -50.92 -63.77 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 954' ' ' THR . 13.2 tmtt? -34.8 -60.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 957' ' ' LYS . 24.7 mmtt -51.93 -45.88 64.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 956' ' ' LYS . 16.3 tttp -36.78 -45.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -57.1 11.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -109.56 97.01 6.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 35.7 m -76.07 158.45 31.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -134.85 -168.16 11.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 116.95 4.79 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.653 2.235 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 23.7 m -104.39 138.3 41.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 26.4 p -111.75 116.42 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.443 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 61.2 m -109.95 145.16 37.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 32.0 m -115.75 149.04 39.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 885' ' ' SER . . . 136.7 56.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.432 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 884' ' ' GLY . 12.7 t -34.73 145.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.84 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 66.4 m 50.73 36.11 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -84.11 169.72 46.37 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -78.45 -46.99 18.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -51.63 -41.13 61.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 893' ' ' GLN . 56.3 mt-10 -74.56 -62.13 1.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 890' ' ' GLU . 23.4 mmm-85 -35.96 -45.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.15 -43.57 81.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 890' ' ' GLU . 19.9 tt0 -105.21 42.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 895' ' ' LYS . 5.1 p-80 -93.27 -50.78 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . 0.579 ' N ' ' CG ' ' A' ' 894' ' ' HIS . 9.0 mmmm -38.36 -40.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' A' ' 936' ' ' LEU . 28.6 ttm-85 -74.98 -42.75 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 900' ' ' ILE . 8.9 mm-40 -47.56 -61.54 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -48.71 -41.78 32.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.57 98.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 897' ' ' GLU . 76.3 mt -55.74 -59.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -56.71 -56.33 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -52.02 -41.8 62.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.486 ' HD2' HD13 ' A' ' 945' ' ' LEU . 36.2 t80 -56.56 -56.16 24.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.15 -55.21 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -52.23 -41.03 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 16.4 tp -63.6 -37.34 86.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 903' ' ' PHE . 67.6 mt -65.83 -36.6 83.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 10.2 t -81.87 -29.7 32.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -71.9 -39.65 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 35.9 mmm -96.44 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.802 HG21 HG23 ' A' ' 921' ' ' THR . 11.8 t -84.53 73.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -84.77 -7.51 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 33.2 t -82.74 159.21 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 62.2 p -117.3 6.63 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -115.25 45.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.17 172.25 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.6 t -122.14 158.18 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.438 ' O ' ' C ' ' A' ' 919' ' ' SER . 27.9 t-105 -41.4 -59.98 1.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 918' ' ' TRP . 6.7 m -35.64 -69.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.34 -47.79 6.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.802 HG23 HG21 ' A' ' 911' ' ' VAL . 23.4 m -58.85 -66.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 921' ' ' THR . 63.9 ttt180 -35.22 -51.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 923' ' ' ARG . 14.1 mtp-105 -63.86 -61.65 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 94.9 m -39.5 -42.13 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 928' ' ' ASP . 19.3 mt -74.31 -44.92 50.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -43.11 -30.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -80.93 -32.94 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 925' ' ' LEU . 8.5 t70 -60.09 165.9 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . 0.43 ' N ' ' CG ' ' A' ' 928' ' ' ASP . 2.6 t-80 -88.16 -49.66 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.422 ' CD ' ' H ' ' A' ' 930' ' ' ARG . 0.1 OUTLIER -52.81 -31.23 37.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -41.94 -31.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.71 -49.92 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 93.3 p -65.56 -33.82 76.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -59.04 -14.46 24.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 4.2 m -52.02 -42.95 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 896' ' ' ARG . 27.5 mt -41.98 -40.99 2.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 8.4 mt -77.54 118.53 20.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -60.18 155.52 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -44.32 -36.79 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -66.34 -41.6 89.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -71.32 -35.46 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -65.62 -52.6 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -58.82 -54.48 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -56.77 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.486 HD13 ' HD2' ' A' ' 903' ' ' PHE . 34.4 mt -49.45 -53.3 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.73 -55.7 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -46.99 -44.41 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -63.14 -54.54 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.912 ' CE1' HD11 ' A' ' 953' ' ' LEU . 61.8 t60 -44.25 -53.4 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.52 -54.85 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -17.15 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -88.25 -35.42 17.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.912 HD11 ' CE1' ' A' ' 949' ' ' HIS . 19.4 mt -79.52 -9.47 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 19.8 p -88.18 -51.66 5.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -65.42 -31.15 72.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -30.04 51.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -43.8 133.55 4.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 71.0 mtm-85 -56.74 -49.6 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 960' ' ' SER . 8.8 tp10 -62.93 92.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 959' ' ' GLU . 5.2 m -35.53 143.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 170.11 64.05 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -39.6 6.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 14.4 m 43.92 42.43 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 4.6 m -64.62 121.43 14.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 72.5 m -155.51 120.99 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.887 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 37.4 t -145.6 120.26 9.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -174.83 129.74 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 26.2 m -101.73 163.69 12.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.84 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 30.5 t -135.07 152.23 51.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 45.58 -144.29 3.3 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.28 41.2 2.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -59.16 -59.2 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.14 -62.74 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -60.67 93.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -98.38 -50.01 4.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -115.09 43.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.424 ' CG ' ' N ' ' A' ' 895' ' ' LYS . 8.0 p-80 -76.2 -40.08 53.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' A' ' 894' ' ' HIS . 19.6 mmtm -38.58 -36.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -88.23 -45.34 10.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 900' ' ' ILE . 7.9 mm-40 -38.83 -63.57 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -41.05 -48.25 3.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.724 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -61.08 -46.87 88.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 897' ' ' GLU . 88.9 mt -53.39 -65.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -51.18 -52.68 41.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -50.62 -40.88 54.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.491 ' HD2' HD13 ' A' ' 945' ' ' LEU . 21.8 t80 -60.83 -58.32 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -49.22 -51.28 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.06 -39.9 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.44 -41.56 88.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.93 -48.85 77.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 26.1 t -68.42 -50.19 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.58 -60.52 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 22.1 mmm -72.98 -57.32 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.784 HG21 HG23 ' A' ' 921' ' ' THR . 5.5 t -97.05 82.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . 0.452 ' O ' HD13 ' A' ' 953' ' ' LEU . 20.2 ptp180 -93.3 -11.52 32.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 3.3 t -79.45 174.05 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.812 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 68.6 p -117.95 -22.72 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -91.77 45.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.779 HG21 ' CG1' ' A' ' 911' ' ' VAL . 18.9 m -117.87 143.71 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 49.3 m -93.26 152.71 19.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -52.08 -37.81 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.0 m -67.16 -49.38 64.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -51.84 -43.37 63.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.784 HG23 HG21 ' A' ' 911' ' ' VAL . 91.6 m -69.76 -56.61 6.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 921' ' ' THR . 46.9 ttt180 -37.28 -55.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.51 -50.0 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 88.5 m -48.99 -42.02 36.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 928' ' ' ASP . 78.5 mt -75.33 -44.81 43.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 925' ' ' LEU . 52.0 mtp85 -37.02 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -65.28 -41.76 93.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 925' ' ' LEU . 36.1 t70 -54.14 169.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -97.19 -50.35 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 931' ' ' TRP . 24.6 mtt180 -42.01 -44.91 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.433 ' C ' ' O ' ' A' ' 930' ' ' ARG . 16.3 t-105 -34.92 -43.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -39.53 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 13.3 p -60.7 -39.16 87.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.3 -14.43 4.61 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.9 t -52.41 -44.41 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' A' ' 899' ' ' ALA . 26.8 mt -39.03 -47.61 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.23 179.67 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 939' ' ' ARG . 10.1 pt-20 -124.4 151.47 44.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 938' ' ' GLU . 15.3 ttm180 -35.45 -46.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.12 -56.15 25.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -57.45 -46.31 83.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -56.48 -58.68 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -54.79 -51.93 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -51.15 -57.59 8.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.491 HD13 ' HD2' ' A' ' 903' ' ' PHE . 41.4 mt -46.3 -56.47 5.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.427 ' HE1' HG11 ' A' ' 911' ' ' VAL . 50.6 t80 -51.01 -62.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -43.68 -42.33 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.1 -47.5 82.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.615 ' NE2' HD11 ' A' ' 953' ' ' LEU . 51.5 t60 -51.85 -56.75 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 22.2 mm -53.8 -54.75 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -50.57 -29.32 10.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -75.12 -56.26 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.615 HD11 ' NE2' ' A' ' 949' ' ' HIS . 87.6 mt -49.54 -34.32 17.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 30.9 p -77.53 -61.13 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -42.48 -57.51 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -46.36 -55.57 7.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -52.02 109.32 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -136.71 116.07 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.43 89.98 3.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 96.2 p -166.35 148.96 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -109.19 161.72 13.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.555 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 118.33 5.62 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 74.1 m -47.7 -53.28 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 55.9 p 39.41 42.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 47.5 t -78.67 104.29 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 2.9 m -81.56 127.69 33.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -149.21 -177.56 23.46 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 74.3 m -146.47 111.71 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 3.2 m -38.93 -60.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -65.43 -136.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -122.2 113.09 18.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.7 -46.01 4.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -80.18 -47.58 14.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -50.08 -53.88 24.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 893' ' ' GLN . 6.6 pt-20 -49.41 -37.01 23.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 892' ' ' GLU . 36.2 mt-30 -107.4 37.72 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 898' ' ' GLU . 2.4 t-80 -93.05 39.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -79.59 -55.64 4.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -89.78 -43.92 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -43.07 -49.09 6.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . 0.426 ' HB3' ' ND1' ' A' ' 894' ' ' HIS . 3.0 pp20? -51.79 -43.46 63.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -62.68 -40.77 98.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.77 -55.72 22.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -62.92 -40.33 97.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -64.11 -63.23 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.49 ' CE2' HD11 ' A' ' 907' ' ' LEU . 39.8 t80 -47.4 -55.2 9.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -49.84 -63.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -46.73 -38.03 9.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 18.9 tp -69.53 -29.91 67.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.49 HD11 ' CE2' ' A' ' 903' ' ' PHE . 81.0 mt -70.31 -42.03 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.548 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 48.0 t -74.81 -29.04 60.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.32 -41.87 47.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 76.9 mmm -84.47 -41.92 16.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 921' ' ' THR . 4.6 t -100.55 79.91 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -77.71 -14.76 59.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 1.8 m -99.71 176.53 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 95.1 p -125.89 -26.98 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.87 44.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.449 HG23 ' HZ ' ' A' ' 946' ' ' PHE . 14.1 m -114.2 179.02 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 1.4 t -115.76 154.2 30.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.43 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 11.4 t-105 -55.4 -47.51 75.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 80.8 p -56.6 -57.9 10.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -53.02 5.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.448 HG23 ' CG2' ' A' ' 911' ' ' VAL . 86.7 m -63.09 -57.0 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.43 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 12.0 ttt180 -38.79 -61.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -56.49 -40.7 75.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 90.2 m -56.27 -48.11 77.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 907' ' ' LEU . 15.0 mt -66.5 -51.22 59.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -38.14 -44.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -42.69 99.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 12.4 t70 -51.33 167.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . 0.456 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 10.3 t-160 -86.38 -52.78 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.449 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 1.9 mpt_? -44.23 -40.36 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 930' ' ' ARG . 21.5 t-105 -37.53 -41.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -43.12 -50.33 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 7.4 m -71.84 -28.84 63.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -60.72 -12.82 29.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 29.8 m -48.2 -45.17 33.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.468 HD12 ' HB2' ' A' ' 899' ' ' ALA . 25.2 mt -37.35 -50.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.83 125.91 28.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.6 pt-20 -76.36 149.54 36.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 938' ' ' GLU . 73.6 mtm180 -35.79 -49.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.67 -48.34 79.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -63.03 -40.42 97.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -60.45 -54.16 48.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -51.96 -49.99 62.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -51.16 -51.32 54.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.4 mt -56.63 -55.89 28.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.449 ' HZ ' HG23 ' A' ' 916' ' ' VAL . 86.9 t80 -47.56 -55.25 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -49.22 -50.79 36.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -58.38 -45.3 88.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.548 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 13.5 t60 -52.41 -56.52 14.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 40.2 mm -51.76 -51.62 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.97 -42.1 84.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.91 89.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . . . . . . . . . 70.4 mt -44.79 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 70.9 p -53.16 -49.93 65.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -48.39 -45.15 35.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -59.32 -48.03 83.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -49.04 138.32 11.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -85.61 -55.21 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -43.9 118.41 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 8.4 t -139.16 158.01 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 149.94 83.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.84 3.03 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 4.6 m -42.28 102.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 7.5 t -57.94 -42.57 85.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 2.1 t -88.4 87.03 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 13.3 t -136.35 110.47 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 49.08 64.28 3.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 80.0 p -142.2 156.02 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 13.8 m -75.7 -55.77 5.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 103.96 63.95 0.68 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -83.97 90.1 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -44.56 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -119.83 19.6 12.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 52.1 mmt-85 -105.46 40.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -96.14 -55.99 2.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -102.43 41.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -103.76 39.88 1.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -77.86 -49.98 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -87.39 -39.43 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -41.66 -51.2 4.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 899' ' ' ALA . 7.9 pt-20 -50.66 -42.77 56.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.79 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -63.77 -50.86 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 65.6 mt -51.53 -69.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -50.05 -49.45 51.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 898' ' ' GLU . 94.0 m-20 -53.09 -44.3 67.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.435 ' CD2' HD12 ' A' ' 937' ' ' LEU . 23.1 t80 -56.92 -52.84 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -50.05 -60.83 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.28 27.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.128 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.63 -30.02 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.53 -45.82 64.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.56 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 35.4 t -66.14 -50.47 63.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -59.23 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 98.0 mmm -62.07 -44.47 96.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 6.6 t -106.2 90.23 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -89.1 -2.13 58.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 47.2 m -106.25 172.34 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 17.2 p -123.25 -11.89 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.86 48.64 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 19.6 m -112.43 -177.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.174 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 7.5 m -119.78 140.03 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.416 ' HA ' ' CE2' ' A' ' 946' ' ' PHE . 13.0 t-105 -44.6 -67.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 920' ' ' ASP . 82.1 p -41.65 -59.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 919' ' ' SER . 1.1 m-20 -37.72 -63.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 3.5 m -59.39 -38.21 79.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -48.11 -50.76 27.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -69.86 -45.89 66.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 55.5 m -46.77 -45.03 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 19.3 mt -76.78 -36.13 57.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -49.72 -41.88 44.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -73.89 -27.45 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.11 160.89 7.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.05 -52.99 6.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 931' ' ' TRP . 51.5 mtt85 -42.54 -49.97 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 934' ' ' GLY . 7.7 t-105 -36.82 -43.62 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -38.99 -61.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 4.4 m -66.55 -21.98 66.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -68.71 -10.09 60.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 936' ' ' LEU . 5.3 m -45.75 -40.03 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.876 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' A' ' 899' ' ' ALA . 39.7 mt -37.38 -49.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . 0.793 HD22 ' HG2' ' A' ' 941' ' ' GLU . 17.0 mt -68.53 152.8 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 939' ' ' ARG . 8.2 pt-20 -106.96 151.69 24.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 938' ' ' GLU . 16.2 ptt180 -34.91 -45.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -55.99 -53.79 52.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . 0.793 ' HG2' HD22 ' A' ' 937' ' ' LEU . 3.7 tp10 -60.54 -54.43 45.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 903' ' ' PHE . 31.7 mttm -46.8 -56.66 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.94 -53.23 52.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -45.54 -47.29 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 946' ' ' PHE . 26.5 mt -62.37 -66.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 945' ' ' LEU . 43.2 t80 -36.98 -33.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 945' ' ' LEU . 23.1 m-20 -70.63 -56.76 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 949' ' ' HIS . 5.7 pt-20 -53.7 -47.26 70.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.616 ' CE1' HD11 ' A' ' 953' ' ' LEU . 14.2 t60 -56.92 -64.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 16.4 mm -41.9 -56.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 952' ' ' ALA . 5.1 pt-20 -62.01 -31.83 72.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 951' ' ' GLU . . . -66.69 -24.42 66.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.616 HD11 ' CE1' ' A' ' 949' ' ' HIS . 54.4 mt -75.31 -41.55 56.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 955' ' ' LYS . 1.1 p -65.36 -65.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 954' ' ' THR . 10.9 ttpp -34.67 -46.51 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -56.24 -55.71 29.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -52.33 156.32 1.76 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -102.25 123.11 45.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -93.51 115.95 28.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 6.3 t -53.63 145.64 14.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 117.85 -94.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.431 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 80.1 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 1.3 t -106.65 53.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 60.4 p -48.86 176.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.541 -0.223 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 68.8 m -100.88 107.08 18.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.815 0.34 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 23.9 m -88.46 148.78 24.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 150.31 -126.52 2.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 8.1 t -60.99 123.59 18.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 55.4 m -133.39 135.48 44.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -129.52 -87.66 0.5 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -96.63 48.01 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -102.38 -48.56 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . 0.459 ' HG2' ' CE1' ' A' ' 894' ' ' HIS . 11.3 tt0 -59.02 -17.56 26.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -79.2 -15.53 57.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -71.07 -29.2 65.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -114.59 34.89 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . 0.459 ' CE1' ' HG2' ' A' ' 890' ' ' GLU . 6.9 m170 -120.56 -38.61 2.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -52.89 -43.55 66.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -71.52 -47.4 55.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -44.18 -48.97 9.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.53 -46.01 57.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.618 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -59.83 -48.06 83.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.39 -66.07 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -45.88 -52.13 11.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -56.2 -36.55 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.423 ' HD2' HD13 ' A' ' 945' ' ' LEU . 13.5 t80 -68.18 -46.8 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -52.27 -56.12 16.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.95 84.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 910' ' ' MET . 12.1 tp -58.88 -36.54 74.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 903' ' ' PHE . 67.0 mt -64.13 -45.46 88.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.565 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 42.5 t -70.66 -53.36 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.56 -47.43 70.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . 0.428 ' HG2' HD12 ' A' ' 906' ' ' LEU . 98.5 mmm -75.69 -40.6 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . . . . . . . . . 3.5 t -109.76 78.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.56 -18.18 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . 0.499 ' O ' HD13 ' A' ' 953' ' ' LEU . 63.5 m -94.03 178.01 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . 0.411 ' HA ' HG23 ' A' ' 950' ' ' ILE . 90.1 p -125.75 -35.65 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -80.85 46.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 30.7 m -103.66 -176.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 19.3 m -113.34 144.39 42.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.51 ' CZ2' ' HD2' ' A' ' 922' ' ' ARG . 6.9 t-105 -57.82 -54.47 46.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 70.8 m -50.08 -52.21 36.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.49 -50.58 52.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . . . . . . . . . 56.9 m -57.75 -59.4 5.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . 0.51 ' HD2' ' CZ2' ' A' ' 918' ' ' TRP . 51.3 ttt180 -39.77 -50.85 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -69.47 -35.19 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 41.2 m -65.44 -31.08 71.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . . . . . . . . . 21.6 mt -90.42 -30.08 17.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -56.95 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -42.21 15.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 7.6 t70 -51.36 164.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . 0.499 ' CD2' ' HD2' ' A' ' 930' ' ' ARG . 1.4 p-80 -87.69 -43.73 11.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.499 ' HD2' ' CD2' ' A' ' 929' ' ' HIS . 1.1 mpt_? -42.64 -45.83 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.516 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 8.0 t-105 -45.41 -40.37 8.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 931' ' ' TRP . 28.5 mm-40 -35.6 -53.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 3.1 m -72.89 -32.74 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 931' ' ' TRP . . . -57.05 -11.81 6.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 30.0 m -45.29 -43.55 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 899' ' ' ALA . 39.0 mt -39.26 -43.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 23.8 mt -72.81 157.64 37.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.41 163.59 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -43.5 -32.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . 0.453 ' N ' ' HD2' ' A' ' 939' ' ' ARG . 6.7 tt0 -69.31 -46.95 65.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.34 -45.22 73.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.516 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 52.1 mttt -61.44 -51.51 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -57.55 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -58.35 -54.83 42.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 903' ' ' PHE . 25.1 mt -47.75 -47.08 30.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -56.78 -67.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -38.93 -45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -61.66 -52.68 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 908' ' ' SER . 24.4 t60 -49.84 -56.13 11.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.411 HG23 ' HA ' ' A' ' 914' ' ' SER . 10.9 mm -50.7 -59.6 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -46.5 -36.44 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -65.9 -49.4 68.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 913' ' ' SER . 60.1 mt -45.74 -56.12 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 955' ' ' LYS . 45.4 p -64.05 -59.03 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 954' ' ' THR . 23.2 tttm -34.49 -51.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -60.95 -51.55 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 958' ' ' ARG . 15.2 tttm -43.7 105.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 957' ' ' LYS . 2.1 mpt_? -37.54 144.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -123.59 102.69 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 4.3 m -48.23 -52.63 20.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 178.28 153.86 11.86 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 140.54 42.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 22.7 t -84.21 103.75 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 65.2 p -85.49 133.52 34.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 68.3 p -88.2 144.49 26.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 10.8 m -59.37 104.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . 138.34 58.57 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 53.8 p -52.26 177.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 42.9 m -116.32 -43.75 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 145.98 -58.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -96.48 41.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.786 0.327 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -83.37 -45.94 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -66.19 -47.84 72.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -86.37 83.75 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -90.89 -58.37 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -99.41 40.8 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -106.16 41.31 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -65.7 -54.32 28.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 897' ' ' GLU . 13.7 ttp-105 -87.26 -44.19 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 900' ' ' ILE . 28.7 mp0 -37.54 -56.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -46.64 -48.53 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.511 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -61.75 -43.68 98.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 897' ' ' GLU . 94.7 mt -54.29 -60.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -56.88 -50.65 71.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.89 -42.71 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.616 ' CE2' HD11 ' A' ' 907' ' ' LEU . 22.5 t80 -59.06 -48.58 81.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -53.71 -56.32 18.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.17 -40.74 82.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.497 HD21 HD22 ' A' ' 925' ' ' LEU . 13.2 tp -65.31 -31.96 73.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.616 HD11 ' CE2' ' A' ' 903' ' ' PHE . 56.4 mt -70.2 -47.01 63.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.42 ' HA ' ' CE1' ' A' ' 949' ' ' HIS . 73.5 m -63.63 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.09 -65.95 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.0 mmm -60.55 -37.14 80.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.99 HG21 HG23 ' A' ' 921' ' ' THR . 16.4 t -122.73 78.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -89.43 -18.79 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 25.6 t -73.98 160.06 31.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . . . . . . . . . 90.0 p -112.24 -6.59 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -102.79 46.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.445 HG21 HG13 ' A' ' 911' ' ' VAL . 12.2 m -130.33 141.72 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 50.6 m -94.02 168.3 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . 0.434 ' O ' ' C ' ' A' ' 919' ' ' SER . 24.6 t-105 -52.42 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 918' ' ' TRP . 16.2 m -34.57 -51.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -61.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.99 HG23 HG21 ' A' ' 911' ' ' VAL . 79.1 m -57.78 -54.61 44.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.23 -56.51 1.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -61.26 -37.59 83.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 39.3 m -56.21 -55.33 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.497 HD22 HD21 ' A' ' 906' ' ' LEU . 26.9 mt -62.91 -43.05 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -41.97 -33.56 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 927' ' ' LYS . 3.0 mmpt? -79.95 -44.26 20.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 929' ' ' HIS . 19.8 t0 -52.57 149.32 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . 0.436 ' N ' ' OD1' ' A' ' 928' ' ' ASP . 2.1 m-70 -72.03 -40.79 68.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 931' ' ' TRP . 9.7 mpt_? -53.45 -48.87 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.412 ' C ' ' O ' ' A' ' 930' ' ' ARG . 14.0 t-105 -36.67 -37.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -46.28 -61.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 14.8 m -57.7 -38.84 75.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.76 -14.31 5.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 3.2 m -43.77 -36.28 2.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 899' ' ' ALA . 48.5 mt -41.86 -46.46 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.63 163.69 26.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -110.29 155.05 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 940' ' ' GLU . 0.2 OUTLIER -42.3 -29.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . 0.43 ' N ' ' HG2' ' A' ' 939' ' ' ARG . 25.9 tt0 -74.49 -49.01 23.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -64.94 -35.55 81.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.09 -53.91 17.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 943' ' ' GLU . 1.2 tm-20 -54.22 -41.75 69.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -61.44 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 23.1 mt -47.34 -42.9 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.24 -53.86 53.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -54.62 -56.02 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -46.43 -44.91 17.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 953' ' ' LEU . 31.7 t60 -57.61 -55.7 31.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . . . . . . . . . 50.2 mm -53.89 -63.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -48.5 -30.93 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 949' ' ' HIS . . . -69.41 -38.19 77.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.421 HD11 ' NE2' ' A' ' 949' ' ' HIS . 22.8 mt -67.07 -44.9 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 44.0 p -60.04 -29.86 68.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -80.88 -64.67 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.17 -42.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -64.06 102.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 146.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -111.71 -61.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 1.3 t -159.29 120.81 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . 142.4 146.21 4.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 96.04 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.377 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 54.1 p 43.1 43.02 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 3.4 t -84.21 -58.12 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 28.1 m -114.87 154.22 29.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 68.7 m -119.96 141.27 49.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -142.53 147.94 19.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 41.0 t -137.96 145.45 42.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 84.1 p -82.0 145.95 29.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . 166.48 -47.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.435 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -118.96 41.16 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -100.83 -58.17 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -73.45 -50.1 23.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -49.85 -48.73 50.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -60.75 -44.75 96.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -96.92 39.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -108.41 -54.52 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -38.05 -45.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.479 ' HA ' HD13 ' A' ' 936' ' ' LEU . 23.1 ttm180 -68.56 -49.4 59.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -44.36 -50.72 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.587 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -65.37 -38.71 90.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 86.4 mt -58.7 -56.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -63.89 -47.72 79.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -54.66 -43.36 72.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -60.66 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -48.09 -59.16 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -53.55 -40.19 65.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.086 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.37 -36.26 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 925' ' ' LEU . 47.0 mt -61.13 -49.96 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . 0.421 ' HA ' ' NE2' ' A' ' 949' ' ' HIS . 28.4 t -63.03 -50.77 69.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.3 -61.89 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' A' ' 925' ' ' LEU . 14.9 mmm -61.98 -31.92 72.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 921' ' ' THR . 4.2 t -127.12 89.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -95.41 -7.1 39.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 43.2 t -86.2 163.08 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 950' ' ' ILE . 87.8 p -118.46 -1.6 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -116.07 48.3 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . . . . . . . . . 6.5 m -123.57 157.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 5.7 t -100.41 147.81 25.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -47.11 -48.12 23.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 14.3 m -43.86 -57.17 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -56.61 -47.33 79.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.727 HG23 HG21 ' A' ' 911' ' ' VAL . 95.8 m -54.89 -45.57 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -60.81 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -27.61 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 52.7 m -70.93 -61.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 928' ' ' ASP . 40.5 mt -61.17 -47.42 86.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 925' ' ' LEU . 28.3 mtp85 -35.74 -49.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -58.94 -42.43 89.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.6 t0 -58.89 145.18 42.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -66.88 -44.1 81.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 931' ' ' TRP . 5.7 mmt-85 -45.37 -53.14 9.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.42 ' CH2' ' HD3' ' A' ' 942' ' ' LYS . 20.7 t-105 -37.39 -42.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -42.98 -49.94 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 16.0 m -67.95 -37.07 81.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -57.12 -14.45 11.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 936' ' ' LEU . 39.5 t -42.2 -40.96 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.587 HD12 ' HB2' ' A' ' 899' ' ' ALA . 35.9 mt -37.38 -49.97 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.19 147.46 51.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 939' ' ' ARG . 7.9 pt-20 -93.5 146.77 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 938' ' ' GLU . 0.0 OUTLIER -34.99 -47.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.69 -52.74 61.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.03 -44.62 96.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . 0.42 ' HD3' ' CH2' ' A' ' 931' ' ' TRP . 60.7 mttm -57.56 -53.86 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.65 -45.87 81.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -54.84 -50.4 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 37.3 mt -55.64 -52.22 64.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -53.66 -57.79 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -48.36 -41.51 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -69.68 -42.84 73.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.421 ' NE2' ' HA ' ' A' ' 908' ' ' SER . 47.9 t60 -55.74 -43.28 76.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 953' ' ' LEU . 51.4 mm -66.99 -49.02 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -31.19 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -72.39 -53.46 12.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 950' ' ' ILE . 45.0 mt -38.94 -50.78 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 82.2 p -65.55 -45.0 85.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -55.64 -54.29 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -59.55 -51.48 69.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 8.4 tttp -56.33 161.36 2.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -66.4 118.11 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -57.64 133.67 55.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 3.3 m 47.84 33.12 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -86.54 -93.66 0.88 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -179.04 2.64 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.317 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 91.0 p -166.47 178.52 6.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 71.8 m -136.91 165.95 24.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.51 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 59.4 p -127.39 95.5 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 67.1 p -109.16 87.11 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 884' ' ' GLY . . . . . . . . . . . . . . . -165.8 175.52 41.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.425 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 885' ' ' SER . . . . . . . . . . . . . 68.2 m -112.23 122.83 48.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 886' ' ' SER . . . . . . . . . . . . . 74.1 m -38.78 -59.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 887' ' ' GLY . . . . . . . . . . . . . . . -85.65 -167.27 43.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 888' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 888' ' ' ASP . 6.9 p-10 -107.46 99.39 8.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.791 0.329 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -96.5 -45.23 6.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 890' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 891' ' ' ARG . 14.0 tt0 -88.47 -57.42 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 890' ' ' GLU . 37.8 mmt-85 -35.6 -40.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.19 -48.89 44.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 893' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -104.03 40.76 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 894' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -100.69 -25.06 14.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 895' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -49.32 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 896' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 936' ' ' LEU . 51.8 ttt180 -67.95 -40.31 83.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 897' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -53.18 -33.63 53.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 898' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.32 -50.22 66.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 899' ' ' ALA . . . . . 0.881 ' HB2' HD12 ' A' ' 936' ' ' LEU . . . -58.35 -40.37 82.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 900' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.43 -65.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -58.12 -38.03 75.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.01 -44.66 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 903' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 907' ' ' LEU . 37.3 t80 -56.99 -53.12 61.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 904' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -54.02 -48.12 70.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.26 90.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 906' ' ' LEU . . . . . 0.537 HD21 HD22 ' A' ' 925' ' ' LEU . 12.9 tp -58.04 -31.69 67.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 907' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 903' ' ' PHE . 51.9 mt -70.07 -56.3 7.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 908' ' ' SER . . . . . . . . . . . . . 22.8 t -62.58 -21.42 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -82.75 -65.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 910' ' ' MET . . . . . . . . . . . . . 39.1 mmm -71.03 -47.16 60.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 911' ' ' VAL . . . . . 0.611 HG13 HG21 ' A' ' 916' ' ' VAL . 59.2 t -98.98 62.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 912' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -74.7 -12.6 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 913' ' ' SER . . . . . . . . . . . . . 68.9 p -84.46 164.9 18.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 914' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 950' ' ' ILE . 92.0 p -122.26 9.14 9.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 915' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.43 39.59 3.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 916' ' ' VAL . . . . . 0.611 HG21 HG13 ' A' ' 911' ' ' VAL . 3.0 m -119.21 154.14 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 917' ' ' SER . . . . . . . . . . . . . 2.6 t -98.37 148.69 23.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 918' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -47.58 -45.68 27.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 919' ' ' SER . . . . . . . . . . . . . 26.7 p -51.34 -56.46 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 920' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -52.86 -39.17 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 921' ' ' THR . . . . . 0.57 HG23 HG21 ' A' ' 911' ' ' VAL . 20.3 m -67.56 -46.85 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 922' ' ' ARG . . . . . . . . . . . . . 39.7 ttt-85 -55.93 -36.38 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 923' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -82.58 -30.58 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 924' ' ' THR . . . . . . . . . . . . . 5.9 m -67.62 -46.52 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 925' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 906' ' ' LEU . 43.7 mt -70.43 -42.42 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 926' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -39.59 -50.58 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 927' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -30.14 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 928' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 925' ' ' LEU . 23.5 t70 -60.79 168.54 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 929' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.92 -46.0 8.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 930' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 931' ' ' TRP . 1.4 mpt_? -50.01 -44.72 51.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 931' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 930' ' ' ARG . 31.5 t-105 -37.39 -41.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 932' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -46.62 -57.01 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 933' ' ' SER . . . . . . . . . . . . . 19.5 m -59.29 -39.02 81.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 934' ' ' GLY . . . . . . . . . . . . . . . -54.85 -14.0 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 935' ' ' SER . . . . . . . . . . . . . 7.4 m -43.44 -45.0 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 936' ' ' LEU . . . . . 0.881 HD12 ' HB2' ' A' ' 899' ' ' ALA . 21.7 mt -39.75 -56.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 937' ' ' LEU . . . . . . . . . . . . . 15.1 mt -60.24 163.14 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 938' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -105.37 159.7 15.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 939' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 -46.28 -45.83 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 940' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -58.32 -57.85 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 941' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -50.76 -51.82 46.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 942' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -54.1 -55.13 30.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 943' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -53.84 -52.51 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 944' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -52.37 -52.78 51.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 945' ' ' LEU . . . . . . . . . . . . . 44.9 mt -52.03 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 946' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -39.46 -60.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 947' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -45.57 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 948' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -56.37 -46.24 80.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 949' ' ' HIS . . . . . 0.541 ' NE2' HD11 ' A' ' 953' ' ' LEU . 29.7 t60 -52.4 -52.13 55.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 950' ' ' ILE . . . . . 0.682 ' HA ' HD12 ' A' ' 953' ' ' LEU . 36.2 mm -58.33 -63.88 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.109 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 951' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 950' ' ' ILE . 75.5 mm-40 -38.32 -45.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 952' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.6 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 953' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 950' ' ' ILE . 75.6 mt -56.95 -55.31 36.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 954' ' ' THR . . . . . . . . . . . . . 29.4 p -65.42 -43.36 90.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 955' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 959' ' ' GLU . 0.5 OUTLIER -57.04 -38.16 72.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 956' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.47 -7.77 58.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -99.48 -66.56 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 958' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -46.01 -27.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 955' ' ' LYS . 0.4 OUTLIER -101.32 118.21 36.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 960' ' ' SER . . . . . . . . . . . . . 74.3 p -69.52 -54.0 16.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 961' ' ' GLY . . . . . . . . . . . . . . . -148.73 146.13 15.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 962' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 122.15 8.82 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 963' ' ' SER . . . . . . . . . . . . . 1.5 p -133.82 55.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 964' ' ' SER . . . . . . . . . . . . . 39.1 t -154.88 146.55 23.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 965' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.965 . . . . . . . . 0 0 . 1 stop_ save_