data_5mxs_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 5mxs _Structure_validation_residue.Date_analyzed 2017-03-07 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 ' 1' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 49.6 m-85 -57.38 -10.48 1.39 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 -173.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.57 -17.69 61.68 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.106 -0.371 . . . . 0.0 110.458 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.9 mtm105 -94.91 2.54 55.42 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.114 0.566 . . . . 0.0 111.653 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.54 -34.9 71.53 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.19 0.45 . . . . 0.0 110.678 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -64.49 -28.98 70.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 122.406 -0.184 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -73.93 -34.07 64.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.181 -0.324 . . . . 0.0 110.696 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.66 -44.48 56.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 m80 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.292 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -56.98 -13.47 2.74 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -173.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -72.47 -17.49 61.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.822 -0.549 . . . . 0.0 110.578 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -94.02 3.31 55.51 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.495 0.718 . . . . 0.0 112.071 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.3 tp -58.93 -35.23 72.74 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.041 0.382 . . . . 0.0 111.037 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -65.53 -29.35 69.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.429 -0.169 . . . . 0.0 111.116 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -73.02 -30.91 64.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.697 0.226 . . . . 0.0 110.697 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.66 -45.56 24.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 m80 . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.084 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.4 -11.38 2.78 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -72.31 -17.94 61.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.945 -0.472 . . . . 0.0 110.584 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -94.61 4.46 53.82 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.406 0.683 . . . . 0.0 112.004 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 tp -58.79 -35.59 73.06 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 118.044 0.383 . . . . 0.0 110.772 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -67.23 -29.93 69.71 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.3 0.24 . . . . 0.0 110.952 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -72.35 -23.18 61.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.114 -0.366 . . . . 0.0 110.924 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -87.39 -49.4 7.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 . . . . . 0 C--O 1.231 0.121 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.585 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 119.502 -0.285 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -58.09 -12.02 3.07 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 118.048 2.61 . . . . 0.0 118.048 -173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -71.42 -18.01 62.36 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.976 -0.452 . . . . 0.0 110.647 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -93.28 2.22 56.69 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.83 0.852 . . . . 0.0 111.992 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.29 -35.01 72.98 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.119 0.418 . . . . 0.0 110.955 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 t -67.43 -23.63 65.55 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.278 -0.264 . . . . 0.0 111.164 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -78.26 -29.88 48.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 117.959 0.345 . . . . 0.0 110.563 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -79.63 -46.39 17.29 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.8 m80 . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.277 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 119.614 -0.231 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -58.65 -11.41 3.05 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -173.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -73.1 -17.74 61.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.98 0.355 . . . . 0.0 110.541 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -92.96 3.58 55.49 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.803 0.841 . . . . 0.0 111.558 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.79 -42.21 98.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.14 0.427 . . . . 0.0 111.45 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -67.87 -28.35 67.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.365 -0.209 . . . . 0.0 110.8 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -73.57 -33.5 64.68 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.61 -46.75 45.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.996 0.518 . . . . 0.0 110.798 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.0 m80 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 178.835 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.259 50.2 m-85 -57.62 -12.0 2.52 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 117.905 2.557 . . . . 0.0 117.905 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.41 -17.77 61.78 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.167 -0.333 . . . . 0.0 110.404 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -93.3 0.35 56.95 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.616 0.766 . . . . 0.0 111.944 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -34.09 72.45 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.112 0.415 . . . . 0.0 110.888 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -64.58 -26.45 68.41 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.319 0.248 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -77.21 -34.88 56.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.127 -0.358 . . . . 0.0 110.544 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.31 -46.45 55.63 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m80 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.645 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.41 -11.41 2.82 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 118.113 2.634 . . . . 0.0 118.113 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.21 -17.77 61.89 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.073 -0.392 . . . . 0.0 110.711 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -94.74 4.46 53.81 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.575 0.75 . . . . 0.0 111.862 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.07 -35.16 72.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.862 -0.524 . . . . 0.0 111.262 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -68.22 -25.82 65.4 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.172 0.189 . . . . 0.0 111.184 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -75.33 -24.85 57.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 O-C-N 122.095 -0.378 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -87.24 -48.57 7.92 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.583 0.353 . . . . 0.0 110.2 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.836 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -57.35 -12.5 2.53 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -72.92 -16.95 61.54 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.113 0.415 . . . . 0.0 110.513 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -95.31 2.16 54.66 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.83 0.852 . . . . 0.0 111.715 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.68 -37.17 75.45 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.008 -0.432 . . . . 0.0 111.058 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -66.83 -22.98 65.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.473 -0.142 . . . . 0.0 111.374 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -76.3 -34.97 59.06 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 122.082 -0.386 . . . . 0.0 109.961 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.23 -44.52 62.79 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 m80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 49.3 m-85 -56.98 -12.47 2.04 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 -173.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.15 -19.44 61.77 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.03 -0.419 . . . . 0.0 110.616 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -91.66 -0.16 57.54 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.346 0.658 . . . . 0.0 111.865 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.43 -33.54 71.38 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.141 -0.35 . . . . 0.0 110.531 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -64.59 -26.71 68.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.243 0.217 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -78.36 -34.5 48.3 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.985 -0.447 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.65 -46.69 62.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.7 m80 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.357 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.8 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.268 50.3 m-85 -58.18 -11.3 2.5 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -173.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -72.61 -17.3 61.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.123 -0.361 . . . . 0.0 110.608 175.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtp-105 -96.13 5.98 49.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.655 0.782 . . . . 0.0 111.952 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -57.78 -39.25 77.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.038 0.381 . . . . 0.0 111.079 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 100.0 p -71.22 -22.08 62.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 119.792 -0.146 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -75.77 -22.87 56.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.906 0.321 . . . . 0.0 110.545 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -89.91 -47.44 7.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.474 0.31 . . . . 0.0 110.3 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.1 m80 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.129 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.353 -0.355 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.7 m-85 -57.43 -11.35 1.85 Allowed 'General case' 0 C--N 1.337 0.064 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -173.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -73.38 -18.3 61.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.174 -0.329 . . . . 0.0 110.635 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.98 -0.22 57.48 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.575 0.75 . . . . 0.0 111.572 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.95 -33.42 71.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 122.015 -0.428 . . . . 0.0 110.821 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -64.39 -26.75 68.6 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.209 0.204 . . . . 0.0 111.51 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -77.49 -34.95 54.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.699 0.227 . . . . 0.0 110.761 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.4 -46.48 60.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 m80 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.654 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 49.7 m-85 -57.17 -12.91 2.53 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 118.175 2.658 . . . . 0.0 118.175 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -71.79 -18.4 62.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.217 0.462 . . . . 0.0 110.607 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -93.21 2.3 56.71 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.567 0.747 . . . . 0.0 111.935 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.97 -36.48 74.93 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.167 0.44 . . . . 0.0 111.275 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -67.33 -23.64 65.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.314 -0.241 . . . . 0.0 111.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -75.98 -32.42 59.46 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.979 -0.451 . . . . 0.0 110.456 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.41 -44.92 49.81 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.0 m80 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.297 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.251 49.0 m-85 -56.28 -13.54 2.21 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -171.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -73.45 -20.91 60.59 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.343 0.52 . . . . 0.0 110.511 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -79.78 -12.23 59.79 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 122.742 0.417 . . . . 0.0 111.715 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.11 -30.69 66.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.621 0.368 . . . . 0.0 110.458 -178.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -64.26 -30.3 71.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 111.314 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -80.19 -32.99 38.58 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.986 0.357 . . . . 0.0 110.337 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -72.25 -45.71 59.03 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m80 . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.788 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.19 -12.24 2.16 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 118.313 2.709 . . . . 0.0 118.313 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -71.73 -18.04 62.16 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.064 0.393 . . . . 0.0 110.69 175.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -94.16 4.04 54.43 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.423 0.689 . . . . 0.0 111.983 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -59.31 -34.46 72.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.28 0.491 . . . . 0.0 111.107 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -67.17 -29.59 69.33 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.203 0.201 . . . . 0.0 111.101 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -72.46 -23.49 61.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.155 -0.341 . . . . 0.0 111.024 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.23 -47.95 8.06 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.834 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.62 -11.15 1.88 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 118.17 2.655 . . . . 0.0 118.17 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -71.61 -19.31 62.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.099 0.408 . . . . 0.0 110.571 176.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -91.89 0.79 57.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.252 0.621 . . . . 0.0 112.27 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.57 -33.98 72.12 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.073 -0.392 . . . . 0.0 110.75 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -64.37 -25.89 68.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.138 0.175 . . . . 0.0 111.19 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -78.15 -36.38 47.75 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.09 -0.381 . . . . 0.0 110.754 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.02 -46.08 65.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.5 m80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.753 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.9 m-85 -58.04 -11.1 2.2 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 -172.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -73.33 -17.54 61.29 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.002 -0.436 . . . . 0.0 110.388 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -92.04 -0.05 57.47 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.614 0.766 . . . . 0.0 111.891 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.89 -34.22 71.4 Favored 'General case' 0 C--O 1.228 -0.079 0 O-C-N 122.014 -0.429 . . . . 0.0 110.972 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 t -64.87 -25.74 68.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.245 0.218 . . . . 0.0 111.171 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -77.77 -35.08 52.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.11 -0.369 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -70.87 -46.06 63.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.0 m80 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 112.233 0.456 . . . . 0.0 112.233 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -57.19 -12.53 2.33 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -72.03 -18.64 61.94 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.019 0.372 . . . . 0.0 110.522 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -91.46 -0.68 57.65 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.685 0.794 . . . . 0.0 112.017 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.51 -33.77 71.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.94 0.336 . . . . 0.0 111.058 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -65.2 -26.06 67.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.196 0.198 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -77.28 -35.78 54.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.946 0.339 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -71.98 -45.19 61.91 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.4 m80 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.65 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . 0.451 ' CH2' ' CE2' ' A' ' 2' ' ' TYR . 1.1 p90 . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.451 ' CE2' ' CH2' ' A' ' 1' ' ' TRP 0.271 31.5 m-85 -56.19 -13.8 2.33 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -169.447 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -75.28 -13.66 60.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 121.92 -0.487 . . . . 0.0 110.483 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -113.83 0.12 14.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.13 0.972 . . . . 0.0 112.511 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -32.07 69.57 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -69.7 -30.05 67.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.396 -0.19 . . . . 0.0 111.242 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -71.4 -26.15 62.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.842 -0.536 . . . . 0.0 111.201 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.48 -45.06 9.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 122.308 0.243 . . . . 0.0 110.582 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.255 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.282 -0.39 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 51.5 m-85 -57.33 -12.38 2.42 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -173.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -72.21 -18.7 61.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.066 -0.396 . . . . 0.0 110.796 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -92.83 3.01 56.45 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.498 0.719 . . . . 0.0 111.889 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -58.71 -34.53 71.42 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.379 0.536 . . . . 0.0 110.855 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -66.24 -28.13 68.49 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 122.169 0.188 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -76.17 -23.36 54.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.812 0.278 . . . . 0.0 111.198 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -87.77 -42.61 12.47 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.4 m80 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.391 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 119.519 -0.277 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 48.4 m-85 -58.09 -12.51 3.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 -173.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -72.68 -17.44 61.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.252 0.478 . . . . 0.0 110.459 176.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -94.61 0.64 55.31 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.76 0.824 . . . . 0.0 111.823 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.77 -36.76 72.58 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 117.951 0.341 . . . . 0.0 111.216 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -69.46 -19.16 63.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.236 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -80.71 -33.22 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.067 0.394 . . . . 0.0 110.174 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.74 -46.12 55.16 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.6 m80 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.792 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 49.6 m-85 -57.38 -10.48 1.39 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 -173.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.57 -17.69 61.68 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.106 -0.371 . . . . 0.0 110.458 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.9 mtm105 -94.91 2.54 55.42 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.114 0.566 . . . . 0.0 111.653 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.54 -34.9 71.53 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.19 0.45 . . . . 0.0 110.678 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -64.49 -28.98 70.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 122.406 -0.184 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -73.93 -34.07 64.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.181 -0.324 . . . . 0.0 110.696 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.66 -44.48 56.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -71.55 -15.31 62.28 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.7 m -79.77 -26.39 40.68 Favored 'General case' 0 N--CA 1.458 -0.068 0 O-C-N 121.849 -0.532 . . . . 0.0 110.586 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -88.31 -11.95 44.91 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.971 0.508 . . . . 0.0 111.908 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.6 tp -73.72 -24.39 59.91 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.2 0.6 . . . . 0.0 111.066 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -66.78 160.44 25.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.921 0.391 . . . . 0.0 111.139 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -76.78 0.39 20.8 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.067 0 O-C-N 121.854 -0.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -56.98 -13.47 2.74 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -173.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -72.47 -17.49 61.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.822 -0.549 . . . . 0.0 110.578 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -94.02 3.31 55.51 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.495 0.718 . . . . 0.0 112.071 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.3 tp -58.93 -35.23 72.74 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.041 0.382 . . . . 0.0 111.037 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -65.53 -29.35 69.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.429 -0.169 . . . . 0.0 111.116 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -73.02 -30.91 64.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.697 0.226 . . . . 0.0 110.697 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.66 -45.56 24.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -68.96 -22.72 64.1 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -74.51 -9.89 59.02 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.236 0.471 . . . . 0.0 111.187 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -113.57 -13.37 12.76 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.797 0.839 . . . . 0.0 111.539 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.3 tp -76.65 -31.05 57.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.232 0.613 . . . . 0.0 110.23 175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -68.21 160.03 29.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.597 0.359 . . . . 0.0 111.11 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.38 -2.76 20.51 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.184 0 O-C-N 121.971 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.4 -11.38 2.78 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -72.31 -17.94 61.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.945 -0.472 . . . . 0.0 110.584 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -94.61 4.46 53.82 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.406 0.683 . . . . 0.0 112.004 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 tp -58.79 -35.59 73.06 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 118.044 0.383 . . . . 0.0 110.772 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -67.23 -29.93 69.71 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.3 0.24 . . . . 0.0 110.952 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -72.35 -23.18 61.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.114 -0.366 . . . . 0.0 110.924 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -87.39 -49.4 7.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -69.3 -28.15 66.01 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.7 p -74.94 -7.77 54.53 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.565 0.621 . . . . 0.0 111.208 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -112.47 -14.04 13.29 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.32 0.648 . . . . 0.0 110.994 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 tp -78.6 -31.25 47.03 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.846 0.458 . . . . 0.0 110.533 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -65.87 159.15 26.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.578 0.351 . . . . 0.0 110.962 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.272 75.2 m-20 58.02 13.65 2.3 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 O-C-N 121.761 -0.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 119.502 -0.285 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -58.09 -12.02 3.07 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 118.048 2.61 . . . . 0.0 118.048 -173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -71.42 -18.01 62.36 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.976 -0.452 . . . . 0.0 110.647 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -93.28 2.22 56.69 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.83 0.852 . . . . 0.0 111.992 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.29 -35.01 72.98 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.119 0.418 . . . . 0.0 110.955 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 t -67.43 -23.63 65.55 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.278 -0.264 . . . . 0.0 111.164 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -78.26 -29.88 48.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 117.959 0.345 . . . . 0.0 110.563 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -79.63 -46.39 17.29 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -69.29 -23.45 63.82 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 t -73.85 -17.16 61.1 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.004 0.365 . . . . 0.0 110.796 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -102.36 -20.41 14.6 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 123.524 0.73 . . . . 0.0 111.396 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 tp -71.91 -31.56 66.51 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 122.784 0.434 . . . . 0.0 110.813 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -70.12 -5.34 26.32 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -76.32 -1.46 26.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.031 0 O-C-N 121.951 -0.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 119.614 -0.231 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -58.65 -11.41 3.05 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -173.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -73.1 -17.74 61.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.98 0.355 . . . . 0.0 110.541 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -92.96 3.58 55.49 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.803 0.841 . . . . 0.0 111.558 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.79 -42.21 98.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.14 0.427 . . . . 0.0 111.45 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -67.87 -28.35 67.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.365 -0.209 . . . . 0.0 110.8 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -73.57 -33.5 64.68 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.61 -46.75 45.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.996 0.518 . . . . 0.0 110.798 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -72.62 -18.69 61.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -76.88 -10.74 59.58 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.958 0.344 . . . . 0.0 111.067 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -113.85 -9.47 13.08 Favored 'General case' 0 C--O 1.228 -0.046 0 C-N-CA 123.672 0.789 . . . . 0.0 111.602 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 tp -75.99 -29.21 58.11 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.931 0.493 . . . . 0.0 110.303 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -71.75 -7.02 45.59 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.033 0.533 . . . . 0.0 112.427 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -145.26 10.09 1.27 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 O-C-N 121.947 -0.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.259 50.2 m-85 -57.62 -12.0 2.52 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 117.905 2.557 . . . . 0.0 117.905 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.41 -17.77 61.78 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.167 -0.333 . . . . 0.0 110.404 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -93.3 0.35 56.95 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.616 0.766 . . . . 0.0 111.944 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -34.09 72.45 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.112 0.415 . . . . 0.0 110.888 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -64.58 -26.45 68.41 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.319 0.248 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -77.21 -34.88 56.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.127 -0.358 . . . . 0.0 110.544 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.31 -46.45 55.63 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -72.94 -12.98 61.15 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.0 t -83.44 -36.37 24.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.043 0.383 . . . . 0.0 110.499 173.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -79.38 -11.32 59.92 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 122.708 0.403 . . . . 0.0 111.613 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 tp -72.47 -25.01 61.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.206 0.603 . . . . 0.0 110.714 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -72.14 -9.39 58.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -145.71 8.02 1.12 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 122.045 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.41 -11.41 2.82 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 118.113 2.634 . . . . 0.0 118.113 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.21 -17.77 61.89 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.073 -0.392 . . . . 0.0 110.711 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -94.74 4.46 53.81 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.575 0.75 . . . . 0.0 111.862 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.07 -35.16 72.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.862 -0.524 . . . . 0.0 111.262 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -68.22 -25.82 65.4 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.172 0.189 . . . . 0.0 111.184 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -75.33 -24.85 57.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 O-C-N 122.095 -0.378 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -87.24 -48.57 7.92 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.583 0.353 . . . . 0.0 110.2 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -70.27 -21.65 62.95 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.6 p -80.78 -15.11 57.29 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.491 0.587 . . . . 0.0 111.125 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -102.68 -9.0 20.44 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.138 0.575 . . . . 0.0 110.951 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.6 tp -74.72 -24.52 58.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.506 0.722 . . . . 0.0 110.467 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -66.29 154.59 39.54 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.496 0.319 . . . . 0.0 110.717 -174.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.266 66.9 m-20 57.58 13.28 1.84 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 116.635 2.087 . . . . 0.0 116.635 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.029 0 O-C-N 121.757 -0.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -57.35 -12.5 2.53 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -72.92 -16.95 61.54 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.113 0.415 . . . . 0.0 110.513 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -95.31 2.16 54.66 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.83 0.852 . . . . 0.0 111.715 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.68 -37.17 75.45 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.008 -0.432 . . . . 0.0 111.058 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -66.83 -22.98 65.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.473 -0.142 . . . . 0.0 111.374 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -76.3 -34.97 59.06 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 122.082 -0.386 . . . . 0.0 109.961 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.23 -44.52 62.79 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -69.76 -16.11 63.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.4 m -79.09 -29.9 43.59 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 118.265 0.484 . . . . 0.0 110.51 173.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -82.18 -16.32 50.17 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 122.918 0.487 . . . . 0.0 111.628 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.81 -26.67 66.19 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.747 0.419 . . . . 0.0 110.903 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -70.13 -7.58 42.75 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -76.24 -9.99 59.06 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.122 0 O-C-N 121.284 -0.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 49.3 m-85 -56.98 -12.47 2.04 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 -173.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.15 -19.44 61.77 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.03 -0.419 . . . . 0.0 110.616 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -91.66 -0.16 57.54 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.346 0.658 . . . . 0.0 111.865 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.43 -33.54 71.38 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.141 -0.35 . . . . 0.0 110.531 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -64.59 -26.71 68.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.243 0.217 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -78.36 -34.5 48.3 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.985 -0.447 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.65 -46.69 62.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -73.64 -15.48 61.25 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.4 t -79.75 -35.76 38.31 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 118.025 0.375 . . . . 0.0 110.465 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -78.73 -12.43 60.02 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 122.877 0.471 . . . . 0.0 111.874 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.5 tp -72.3 -26.65 62.05 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.761 0.424 . . . . 0.0 111.02 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -67.25 155.85 37.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.598 0.359 . . . . 0.0 110.903 -175.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.272 65.0 m-20 58.18 13.91 2.53 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 O-C-N 121.737 -0.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.8 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.268 50.3 m-85 -58.18 -11.3 2.5 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -173.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -72.61 -17.3 61.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.123 -0.361 . . . . 0.0 110.608 175.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtp-105 -96.13 5.98 49.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.655 0.782 . . . . 0.0 111.952 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -57.78 -39.25 77.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.038 0.381 . . . . 0.0 111.079 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 100.0 p -71.22 -22.08 62.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 119.792 -0.146 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -75.77 -22.87 56.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.906 0.321 . . . . 0.0 110.545 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -89.91 -47.44 7.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.474 0.31 . . . . 0.0 110.3 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -69.4 -22.4 63.7 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.8 p -76.95 -14.4 59.86 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.53 0.605 . . . . 0.0 110.751 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -98.92 -10.57 22.62 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.432 0.693 . . . . 0.0 111.508 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.1 tp -76.08 -28.57 57.63 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.82 0.448 . . . . 0.0 110.902 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -68.83 161.88 27.61 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.556 0.342 . . . . 0.0 111.54 -176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -70.72 -2.75 15.61 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.087 0 O-C-N 121.904 -0.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.353 -0.355 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.7 m-85 -57.43 -11.35 1.85 Allowed 'General case' 0 C--N 1.337 0.064 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -173.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -73.38 -18.3 61.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.174 -0.329 . . . . 0.0 110.635 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.98 -0.22 57.48 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.575 0.75 . . . . 0.0 111.572 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.95 -33.42 71.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 122.015 -0.428 . . . . 0.0 110.821 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -64.39 -26.75 68.6 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.209 0.204 . . . . 0.0 111.51 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -77.49 -34.95 54.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.699 0.227 . . . . 0.0 110.761 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.4 -46.48 60.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -72.78 -13.69 61.37 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -82.22 -36.07 27.58 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.099 0.409 . . . . 0.0 110.401 173.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -79.33 -12.13 59.93 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 122.827 0.451 . . . . 0.0 112.013 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 tp -73.39 -25.08 60.4 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.309 0.643 . . . . 0.0 110.963 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -68.4 159.99 30.48 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 111.415 -174.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.9 -1.41 14.25 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.175 0 O-C-N 122.156 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 49.7 m-85 -57.17 -12.91 2.53 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 118.175 2.658 . . . . 0.0 118.175 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -71.79 -18.4 62.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.217 0.462 . . . . 0.0 110.607 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -93.21 2.3 56.71 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.567 0.747 . . . . 0.0 111.935 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.97 -36.48 74.93 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.167 0.44 . . . . 0.0 111.275 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -67.33 -23.64 65.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.314 -0.241 . . . . 0.0 111.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -75.98 -32.42 59.46 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.979 -0.451 . . . . 0.0 110.456 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.41 -44.92 49.81 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -70.29 -16.34 63.01 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -80.23 -26.35 39.15 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 118.16 0.437 . . . . 0.0 110.602 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -87.64 -10.0 52.61 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.299 0.64 . . . . 0.0 111.659 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -72.68 -26.81 61.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.608 0.363 . . . . 0.0 110.766 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -71.43 -9.14 57.7 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -143.97 9.76 1.52 Allowed 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.084 0 O-C-N 121.747 -0.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.251 49.0 m-85 -56.28 -13.54 2.21 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -171.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -73.45 -20.91 60.59 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.343 0.52 . . . . 0.0 110.511 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -79.78 -12.23 59.79 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 122.742 0.417 . . . . 0.0 111.715 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.11 -30.69 66.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.621 0.368 . . . . 0.0 110.458 -178.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -64.26 -30.3 71.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 111.314 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -80.19 -32.99 38.58 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.986 0.357 . . . . 0.0 110.337 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -72.25 -45.71 59.03 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -72.73 -22.63 60.84 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -72.63 -20.33 61.29 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 117.855 0.298 . . . . 0.0 110.784 175.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -98.07 -16.03 19.76 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.384 0.673 . . . . 0.0 111.732 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.44 -34.35 36.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.821 0.449 . . . . 0.0 110.816 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -67.74 160.58 27.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 111.209 -177.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -70.48 98.39 1.44 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.19 -12.24 2.16 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 118.313 2.709 . . . . 0.0 118.313 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -71.73 -18.04 62.16 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.064 0.393 . . . . 0.0 110.69 175.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -94.16 4.04 54.43 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.423 0.689 . . . . 0.0 111.983 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -59.31 -34.46 72.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.28 0.491 . . . . 0.0 111.107 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -67.17 -29.59 69.33 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.203 0.201 . . . . 0.0 111.101 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -72.46 -23.49 61.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.155 -0.341 . . . . 0.0 111.024 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.23 -47.95 8.06 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -70.96 -24.42 62.41 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.7 p -75.47 -13.61 60.39 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 118.774 0.716 . . . . 0.0 110.707 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -100.78 -10.64 20.58 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 123.286 0.634 . . . . 0.0 111.572 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.3 tp -75.58 -29.24 59.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.841 0.456 . . . . 0.0 110.632 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.61 159.58 29.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.807 0.336 . . . . 0.0 111.284 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -73.54 -9.64 58.89 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.996 0.518 . . . . 0.0 109.861 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 O-C-N 121.406 -0.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.62 -11.15 1.88 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 118.17 2.655 . . . . 0.0 118.17 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -71.61 -19.31 62.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.099 0.408 . . . . 0.0 110.571 176.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -91.89 0.79 57.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.252 0.621 . . . . 0.0 112.27 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.57 -33.98 72.12 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.073 -0.392 . . . . 0.0 110.75 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -64.37 -25.89 68.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.138 0.175 . . . . 0.0 111.19 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -78.15 -36.38 47.75 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.09 -0.381 . . . . 0.0 110.754 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.02 -46.08 65.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -72.35 -14.4 61.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -81.75 -36.3 28.7 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.069 0.395 . . . . 0.0 110.199 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -80.05 -11.79 59.74 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 122.686 0.394 . . . . 0.0 111.34 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -71.48 -26.1 62.55 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.583 0.353 . . . . 0.0 110.747 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -68.67 160.11 30.83 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.994 0.426 . . . . 0.0 111.301 -175.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -142.2 8.22 1.82 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.155 0 O-C-N 121.987 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.9 m-85 -58.04 -11.1 2.2 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 -172.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -73.33 -17.54 61.29 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.002 -0.436 . . . . 0.0 110.388 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -92.04 -0.05 57.47 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.614 0.766 . . . . 0.0 111.891 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.89 -34.22 71.4 Favored 'General case' 0 C--O 1.228 -0.079 0 O-C-N 122.014 -0.429 . . . . 0.0 110.972 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 t -64.87 -25.74 68.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.245 0.218 . . . . 0.0 111.171 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -77.77 -35.08 52.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.11 -0.369 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -70.87 -46.06 63.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -72.71 -13.1 61.26 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.233 0.456 . . . . 0.0 112.233 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.2 t -82.95 -32.07 27.32 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.178 0.445 . . . . 0.0 110.558 173.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -80.96 -17.92 48.81 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 122.681 0.393 . . . . 0.0 111.577 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.86 -24.16 66.1 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.106 0.563 . . . . 0.0 110.549 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -70.08 -7.18 39.23 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.544 0.338 . . . . 0.0 111.849 -174.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -77.25 -10.04 59.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.105 0 O-C-N 121.419 -0.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -57.19 -12.53 2.33 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -72.03 -18.64 61.94 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.019 0.372 . . . . 0.0 110.522 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -91.46 -0.68 57.65 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.685 0.794 . . . . 0.0 112.017 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.51 -33.77 71.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.94 0.336 . . . . 0.0 111.058 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -65.2 -26.06 67.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.196 0.198 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -77.28 -35.78 54.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.946 0.339 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -71.98 -45.19 61.91 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -72.61 -14.82 61.7 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.0 t -81.0 -36.04 31.17 Favored 'General case' 0 C--N 1.339 0.131 0 O-C-N 122.041 -0.412 . . . . 0.0 110.455 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -76.72 -16.56 59.47 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 122.924 0.489 . . . . 0.0 111.609 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.93 -25.44 67.13 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.068 0.547 . . . . 0.0 110.897 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -68.98 -8.48 45.08 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.627 0.371 . . . . 0.0 111.957 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.99 -11.06 60.02 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 O-C-N 121.428 -0.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . 0.451 ' CH2' ' CE2' ' A' ' 2' ' ' TYR . 1.1 p90 . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.451 ' CE2' ' CH2' ' A' ' 1' ' ' TRP 0.271 31.5 m-85 -56.19 -13.8 2.33 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -169.447 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -75.28 -13.66 60.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 121.92 -0.487 . . . . 0.0 110.483 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -113.83 0.12 14.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.13 0.972 . . . . 0.0 112.511 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -32.07 69.57 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -69.7 -30.05 67.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.396 -0.19 . . . . 0.0 111.242 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -71.4 -26.15 62.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.842 -0.536 . . . . 0.0 111.201 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.48 -45.06 9.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 122.308 0.243 . . . . 0.0 110.582 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -70.59 -23.18 62.53 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.0 p -79.48 -16.5 55.95 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.285 0.493 . . . . 0.0 110.846 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -98.05 -11.7 22.67 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 123.28 0.632 . . . . 0.0 111.401 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 tp -74.31 -24.44 59.22 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.184 0.594 . . . . 0.0 110.881 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -66.67 162.35 21.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.672 0.389 . . . . 0.0 111.311 -174.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.49 -2.58 17.27 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.13 0 O-C-N 121.646 -0.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.282 -0.39 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 51.5 m-85 -57.33 -12.38 2.42 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -173.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -72.21 -18.7 61.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.066 -0.396 . . . . 0.0 110.796 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -92.83 3.01 56.45 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.498 0.719 . . . . 0.0 111.889 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -58.71 -34.53 71.42 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.379 0.536 . . . . 0.0 110.855 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -66.24 -28.13 68.49 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 122.169 0.188 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -76.17 -23.36 54.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.812 0.278 . . . . 0.0 111.198 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -87.77 -42.61 12.47 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -74.42 -29.96 61.72 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.6 t -64.66 -20.87 66.55 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.826 0.739 . . . . 0.0 111.095 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -82.67 11.71 5.53 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.662 0.785 . . . . 0.0 111.764 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.7 tp -145.06 -33.78 0.36 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.554 0.741 . . . . 0.0 110.974 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -64.0 154.01 35.48 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.495 1.118 . . . . 0.0 110.934 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.261 55.5 m-20 59.8 12.43 2.99 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.146 0 O-C-N 121.495 -0.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 119.519 -0.277 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 48.4 m-85 -58.09 -12.51 3.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 -173.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -72.68 -17.44 61.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.252 0.478 . . . . 0.0 110.459 176.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -94.61 0.64 55.31 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.76 0.824 . . . . 0.0 111.823 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.77 -36.76 72.58 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 117.951 0.341 . . . . 0.0 111.216 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -69.46 -19.16 63.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.236 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -80.71 -33.22 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.067 0.394 . . . . 0.0 110.174 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.74 -46.12 55.16 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -71.17 -15.44 62.48 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 t -78.9 -32.65 45.85 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 118.16 0.436 . . . . 0.0 110.319 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -82.89 -12.73 57.15 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 123.328 0.651 . . . . 0.0 111.503 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.1 tp -71.02 -24.95 62.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.892 0.477 . . . . 0.0 110.493 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.2 158.35 26.33 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.087 0.555 . . . . 0.0 111.154 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -75.64 -10.16 59.21 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.11 0 O-C-N 121.576 -0.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 49.6 m-85 -57.38 -10.48 1.39 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 -173.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.57 -17.69 61.68 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.106 -0.371 . . . . 0.0 110.458 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.9 mtm105 -94.91 2.54 55.42 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.114 0.566 . . . . 0.0 111.653 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.54 -34.9 71.53 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.19 0.45 . . . . 0.0 110.678 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -64.49 -28.98 70.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 122.406 -0.184 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -73.93 -34.07 64.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.181 -0.324 . . . . 0.0 110.696 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.66 -44.48 56.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.292 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -56.98 -13.47 2.74 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -173.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -72.47 -17.49 61.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.822 -0.549 . . . . 0.0 110.578 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -94.02 3.31 55.51 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.495 0.718 . . . . 0.0 112.071 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.3 tp -58.93 -35.23 72.74 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.041 0.382 . . . . 0.0 111.037 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -65.53 -29.35 69.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.429 -0.169 . . . . 0.0 111.116 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -73.02 -30.91 64.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.697 0.226 . . . . 0.0 110.697 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.66 -45.56 24.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.084 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.4 -11.38 2.78 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -72.31 -17.94 61.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.945 -0.472 . . . . 0.0 110.584 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -94.61 4.46 53.82 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.406 0.683 . . . . 0.0 112.004 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 tp -58.79 -35.59 73.06 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 118.044 0.383 . . . . 0.0 110.772 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -67.23 -29.93 69.71 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.3 0.24 . . . . 0.0 110.952 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -72.35 -23.18 61.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.114 -0.366 . . . . 0.0 110.924 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -87.39 -49.4 7.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 . . . . . 0 C--O 1.231 0.121 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.585 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 119.502 -0.285 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -58.09 -12.02 3.07 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 118.048 2.61 . . . . 0.0 118.048 -173.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -71.42 -18.01 62.36 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.976 -0.452 . . . . 0.0 110.647 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -93.28 2.22 56.69 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.83 0.852 . . . . 0.0 111.992 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.29 -35.01 72.98 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.119 0.418 . . . . 0.0 110.955 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 t -67.43 -23.63 65.55 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.278 -0.264 . . . . 0.0 111.164 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -78.26 -29.88 48.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 117.959 0.345 . . . . 0.0 110.563 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -79.63 -46.39 17.29 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.277 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 119.614 -0.231 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -58.65 -11.41 3.05 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -73.1 -17.74 61.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.98 0.355 . . . . 0.0 110.541 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -92.96 3.58 55.49 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.803 0.841 . . . . 0.0 111.558 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.79 -42.21 98.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.14 0.427 . . . . 0.0 111.45 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -67.87 -28.35 67.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.365 -0.209 . . . . 0.0 110.8 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -73.57 -33.5 64.68 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.61 -46.75 45.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.996 0.518 . . . . 0.0 110.798 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.0 m80 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 178.835 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.259 50.2 m-85 -57.62 -12.0 2.52 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 117.905 2.557 . . . . 0.0 117.905 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.41 -17.77 61.78 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.167 -0.333 . . . . 0.0 110.404 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -93.3 0.35 56.95 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.616 0.766 . . . . 0.0 111.944 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -34.09 72.45 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.112 0.415 . . . . 0.0 110.888 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -64.58 -26.45 68.41 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.319 0.248 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -77.21 -34.88 56.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.127 -0.358 . . . . 0.0 110.544 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.31 -46.45 55.63 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m80 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.645 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.41 -11.41 2.82 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 118.113 2.634 . . . . 0.0 118.113 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.21 -17.77 61.89 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.073 -0.392 . . . . 0.0 110.711 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -94.74 4.46 53.81 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.575 0.75 . . . . 0.0 111.862 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.07 -35.16 72.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.862 -0.524 . . . . 0.0 111.262 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -68.22 -25.82 65.4 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.172 0.189 . . . . 0.0 111.184 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -75.33 -24.85 57.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 O-C-N 122.095 -0.378 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -87.24 -48.57 7.92 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.583 0.353 . . . . 0.0 110.2 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.836 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -57.35 -12.5 2.53 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -72.92 -16.95 61.54 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.113 0.415 . . . . 0.0 110.513 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -95.31 2.16 54.66 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.83 0.852 . . . . 0.0 111.715 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.68 -37.17 75.45 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.008 -0.432 . . . . 0.0 111.058 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -66.83 -22.98 65.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.473 -0.142 . . . . 0.0 111.374 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -76.3 -34.97 59.06 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 122.082 -0.386 . . . . 0.0 109.961 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.23 -44.52 62.79 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 49.3 m-85 -56.98 -12.47 2.04 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 -173.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.15 -19.44 61.77 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.03 -0.419 . . . . 0.0 110.616 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -91.66 -0.16 57.54 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.346 0.658 . . . . 0.0 111.865 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.43 -33.54 71.38 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.141 -0.35 . . . . 0.0 110.531 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -64.59 -26.71 68.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.243 0.217 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -78.36 -34.5 48.3 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.985 -0.447 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.65 -46.69 62.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.7 m80 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.357 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.8 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.268 50.3 m-85 -58.18 -11.3 2.5 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -173.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -72.61 -17.3 61.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.123 -0.361 . . . . 0.0 110.608 175.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtp-105 -96.13 5.98 49.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.655 0.782 . . . . 0.0 111.952 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -57.78 -39.25 77.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.038 0.381 . . . . 0.0 111.079 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 100.0 p -71.22 -22.08 62.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 119.792 -0.146 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -75.77 -22.87 56.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.906 0.321 . . . . 0.0 110.545 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -89.91 -47.44 7.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.474 0.31 . . . . 0.0 110.3 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.129 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.353 -0.355 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.7 m-85 -57.43 -11.35 1.85 Allowed 'General case' 0 C--N 1.337 0.064 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -173.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -73.38 -18.3 61.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.174 -0.329 . . . . 0.0 110.635 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.98 -0.22 57.48 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.575 0.75 . . . . 0.0 111.572 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.95 -33.42 71.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 122.015 -0.428 . . . . 0.0 110.821 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -64.39 -26.75 68.6 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.209 0.204 . . . . 0.0 111.51 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -77.49 -34.95 54.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.699 0.227 . . . . 0.0 110.761 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.4 -46.48 60.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 m80 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.654 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 49.7 m-85 -57.17 -12.91 2.53 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 118.175 2.658 . . . . 0.0 118.175 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -71.79 -18.4 62.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.217 0.462 . . . . 0.0 110.607 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -93.21 2.3 56.71 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.567 0.747 . . . . 0.0 111.935 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.97 -36.48 74.93 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.167 0.44 . . . . 0.0 111.275 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -67.33 -23.64 65.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.314 -0.241 . . . . 0.0 111.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -75.98 -32.42 59.46 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.979 -0.451 . . . . 0.0 110.456 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.41 -44.92 49.81 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.297 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.251 49.0 m-85 -56.28 -13.54 2.21 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -171.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -73.45 -20.91 60.59 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.343 0.52 . . . . 0.0 110.511 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -79.78 -12.23 59.79 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 122.742 0.417 . . . . 0.0 111.715 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.11 -30.69 66.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.621 0.368 . . . . 0.0 110.458 -178.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -64.26 -30.3 71.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 111.314 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -80.19 -32.99 38.58 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.986 0.357 . . . . 0.0 110.337 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -72.25 -45.71 59.03 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m80 . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.788 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.19 -12.24 2.16 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 118.313 2.709 . . . . 0.0 118.313 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -71.73 -18.04 62.16 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.064 0.393 . . . . 0.0 110.69 175.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -94.16 4.04 54.43 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.423 0.689 . . . . 0.0 111.983 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -59.31 -34.46 72.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.28 0.491 . . . . 0.0 111.107 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -67.17 -29.59 69.33 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.203 0.201 . . . . 0.0 111.101 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -72.46 -23.49 61.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.155 -0.341 . . . . 0.0 111.024 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.23 -47.95 8.06 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.834 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.62 -11.15 1.88 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 118.17 2.655 . . . . 0.0 118.17 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -71.61 -19.31 62.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.099 0.408 . . . . 0.0 110.571 176.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -91.89 0.79 57.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.252 0.621 . . . . 0.0 112.27 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.57 -33.98 72.12 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.073 -0.392 . . . . 0.0 110.75 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -64.37 -25.89 68.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.138 0.175 . . . . 0.0 111.19 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -78.15 -36.38 47.75 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.09 -0.381 . . . . 0.0 110.754 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.02 -46.08 65.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.753 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.9 m-85 -58.04 -11.1 2.2 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 -172.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -73.33 -17.54 61.29 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.002 -0.436 . . . . 0.0 110.388 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -92.04 -0.05 57.47 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.614 0.766 . . . . 0.0 111.891 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.89 -34.22 71.4 Favored 'General case' 0 C--O 1.228 -0.079 0 O-C-N 122.014 -0.429 . . . . 0.0 110.972 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 t -64.87 -25.74 68.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.245 0.218 . . . . 0.0 111.171 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -77.77 -35.08 52.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.11 -0.369 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -70.87 -46.06 63.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.0 m80 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 112.233 0.456 . . . . 0.0 112.233 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -57.19 -12.53 2.33 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -72.03 -18.64 61.94 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.019 0.372 . . . . 0.0 110.522 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -91.46 -0.68 57.65 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.685 0.794 . . . . 0.0 112.017 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.51 -33.77 71.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.94 0.336 . . . . 0.0 111.058 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -65.2 -26.06 67.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.196 0.198 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -77.28 -35.78 54.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.946 0.339 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -71.98 -45.19 61.91 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.4 m80 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.65 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' TRP . . . . . 0.451 ' CH2' ' CE2' ' A' ' 2' ' ' TYR . 1.1 p90 . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.451 ' CE2' ' CH2' ' A' ' 1' ' ' TRP 0.271 31.5 m-85 -56.19 -13.8 2.33 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -169.447 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -75.28 -13.66 60.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 121.92 -0.487 . . . . 0.0 110.483 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -113.83 0.12 14.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.13 0.972 . . . . 0.0 112.511 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -32.07 69.57 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -69.7 -30.05 67.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.396 -0.19 . . . . 0.0 111.242 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -71.4 -26.15 62.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.842 -0.536 . . . . 0.0 111.201 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.48 -45.06 9.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 122.308 0.243 . . . . 0.0 110.582 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.255 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.282 -0.39 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 51.5 m-85 -57.33 -12.38 2.42 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -173.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -72.21 -18.7 61.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.066 -0.396 . . . . 0.0 110.796 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -92.83 3.01 56.45 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.498 0.719 . . . . 0.0 111.889 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -58.71 -34.53 71.42 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.379 0.536 . . . . 0.0 110.855 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -66.24 -28.13 68.49 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 122.169 0.188 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -76.17 -23.36 54.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.812 0.278 . . . . 0.0 111.198 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -87.77 -42.61 12.47 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.391 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 119.519 -0.277 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 48.4 m-85 -58.09 -12.51 3.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 -173.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -72.68 -17.44 61.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.252 0.478 . . . . 0.0 110.459 176.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -94.61 0.64 55.31 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.76 0.824 . . . . 0.0 111.823 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.77 -36.76 72.58 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 117.951 0.341 . . . . 0.0 111.216 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -69.46 -19.16 63.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.236 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -80.71 -33.22 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.067 0.394 . . . . 0.0 110.174 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.74 -46.12 55.16 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.792 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 49.6 m-85 -57.38 -10.48 1.39 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 -173.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.57 -17.69 61.68 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.106 -0.371 . . . . 0.0 110.458 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.9 mtm105 -94.91 2.54 55.42 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.114 0.566 . . . . 0.0 111.653 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.54 -34.9 71.53 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.19 0.45 . . . . 0.0 110.678 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -64.49 -28.98 70.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 122.406 -0.184 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -73.93 -34.07 64.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.181 -0.324 . . . . 0.0 110.696 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.66 -44.48 56.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -71.55 -15.31 62.28 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.7 m -79.77 -26.39 40.68 Favored 'General case' 0 N--CA 1.458 -0.068 0 O-C-N 121.849 -0.532 . . . . 0.0 110.586 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -88.31 -11.95 44.91 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.971 0.508 . . . . 0.0 111.908 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.6 tp -73.72 -24.39 59.91 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.2 0.6 . . . . 0.0 111.066 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -66.78 160.44 25.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.921 0.391 . . . . 0.0 111.139 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -76.78 0.39 20.8 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.067 0 O-C-N 121.854 -0.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -56.98 -13.47 2.74 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -173.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -72.47 -17.49 61.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.822 -0.549 . . . . 0.0 110.578 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -94.02 3.31 55.51 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.495 0.718 . . . . 0.0 112.071 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.3 tp -58.93 -35.23 72.74 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.041 0.382 . . . . 0.0 111.037 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -65.53 -29.35 69.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.429 -0.169 . . . . 0.0 111.116 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -73.02 -30.91 64.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.697 0.226 . . . . 0.0 110.697 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.66 -45.56 24.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -68.96 -22.72 64.1 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -74.51 -9.89 59.02 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.236 0.471 . . . . 0.0 111.187 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -113.57 -13.37 12.76 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.797 0.839 . . . . 0.0 111.539 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.3 tp -76.65 -31.05 57.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.232 0.613 . . . . 0.0 110.23 175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -68.21 160.03 29.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.597 0.359 . . . . 0.0 111.11 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.38 -2.76 20.51 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.184 0 O-C-N 121.971 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.4 -11.38 2.78 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -72.31 -17.94 61.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.945 -0.472 . . . . 0.0 110.584 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -94.61 4.46 53.82 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.406 0.683 . . . . 0.0 112.004 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 tp -58.79 -35.59 73.06 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 118.044 0.383 . . . . 0.0 110.772 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -67.23 -29.93 69.71 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.3 0.24 . . . . 0.0 110.952 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -72.35 -23.18 61.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.114 -0.366 . . . . 0.0 110.924 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -87.39 -49.4 7.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.3 -28.15 66.01 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.7 p -74.94 -7.77 54.53 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.565 0.621 . . . . 0.0 111.208 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -112.47 -14.04 13.29 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.32 0.648 . . . . 0.0 110.994 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 tp -78.6 -31.25 47.03 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.846 0.458 . . . . 0.0 110.533 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -65.87 159.15 26.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.578 0.351 . . . . 0.0 110.962 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.272 75.2 m-20 58.02 13.65 2.3 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 O-C-N 121.761 -0.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 119.502 -0.285 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -58.09 -12.02 3.07 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 118.048 2.61 . . . . 0.0 118.048 -173.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -71.42 -18.01 62.36 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.976 -0.452 . . . . 0.0 110.647 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -93.28 2.22 56.69 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.83 0.852 . . . . 0.0 111.992 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.29 -35.01 72.98 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.119 0.418 . . . . 0.0 110.955 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 t -67.43 -23.63 65.55 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.278 -0.264 . . . . 0.0 111.164 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -78.26 -29.88 48.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 117.959 0.345 . . . . 0.0 110.563 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -79.63 -46.39 17.29 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -69.29 -23.45 63.82 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 t -73.85 -17.16 61.1 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.004 0.365 . . . . 0.0 110.796 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -102.36 -20.41 14.6 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 123.524 0.73 . . . . 0.0 111.396 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 tp -71.91 -31.56 66.51 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 122.784 0.434 . . . . 0.0 110.813 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -70.12 -5.34 26.32 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -76.32 -1.46 26.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.031 0 O-C-N 121.951 -0.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 119.614 -0.231 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -58.65 -11.41 3.05 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -73.1 -17.74 61.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.98 0.355 . . . . 0.0 110.541 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -92.96 3.58 55.49 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.803 0.841 . . . . 0.0 111.558 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.79 -42.21 98.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.14 0.427 . . . . 0.0 111.45 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -67.87 -28.35 67.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.365 -0.209 . . . . 0.0 110.8 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -73.57 -33.5 64.68 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.61 -46.75 45.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.996 0.518 . . . . 0.0 110.798 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -72.62 -18.69 61.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -76.88 -10.74 59.58 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.958 0.344 . . . . 0.0 111.067 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -113.85 -9.47 13.08 Favored 'General case' 0 C--O 1.228 -0.046 0 C-N-CA 123.672 0.789 . . . . 0.0 111.602 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 tp -75.99 -29.21 58.11 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.931 0.493 . . . . 0.0 110.303 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -71.75 -7.02 45.59 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.033 0.533 . . . . 0.0 112.427 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -145.26 10.09 1.27 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 O-C-N 121.947 -0.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.259 50.2 m-85 -57.62 -12.0 2.52 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 117.905 2.557 . . . . 0.0 117.905 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.41 -17.77 61.78 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.167 -0.333 . . . . 0.0 110.404 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -93.3 0.35 56.95 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.616 0.766 . . . . 0.0 111.944 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -34.09 72.45 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.112 0.415 . . . . 0.0 110.888 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -64.58 -26.45 68.41 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.319 0.248 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -77.21 -34.88 56.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.127 -0.358 . . . . 0.0 110.544 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.31 -46.45 55.63 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -72.94 -12.98 61.15 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.0 t -83.44 -36.37 24.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.043 0.383 . . . . 0.0 110.499 173.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -79.38 -11.32 59.92 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 122.708 0.403 . . . . 0.0 111.613 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 tp -72.47 -25.01 61.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.206 0.603 . . . . 0.0 110.714 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -72.14 -9.39 58.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -145.71 8.02 1.12 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 122.045 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.41 -11.41 2.82 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 118.113 2.634 . . . . 0.0 118.113 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.21 -17.77 61.89 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.073 -0.392 . . . . 0.0 110.711 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -94.74 4.46 53.81 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.575 0.75 . . . . 0.0 111.862 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.07 -35.16 72.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.862 -0.524 . . . . 0.0 111.262 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -68.22 -25.82 65.4 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.172 0.189 . . . . 0.0 111.184 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -75.33 -24.85 57.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 O-C-N 122.095 -0.378 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -87.24 -48.57 7.92 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.583 0.353 . . . . 0.0 110.2 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -70.27 -21.65 62.95 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.6 p -80.78 -15.11 57.29 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.491 0.587 . . . . 0.0 111.125 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -102.68 -9.0 20.44 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.138 0.575 . . . . 0.0 110.951 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.6 tp -74.72 -24.52 58.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.506 0.722 . . . . 0.0 110.467 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -66.29 154.59 39.54 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.496 0.319 . . . . 0.0 110.717 -174.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.266 66.9 m-20 57.58 13.28 1.84 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 116.635 2.087 . . . . 0.0 116.635 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.029 0 O-C-N 121.757 -0.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -57.35 -12.5 2.53 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -72.92 -16.95 61.54 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.113 0.415 . . . . 0.0 110.513 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -95.31 2.16 54.66 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.83 0.852 . . . . 0.0 111.715 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.68 -37.17 75.45 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.008 -0.432 . . . . 0.0 111.058 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -66.83 -22.98 65.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.473 -0.142 . . . . 0.0 111.374 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -76.3 -34.97 59.06 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 122.082 -0.386 . . . . 0.0 109.961 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.23 -44.52 62.79 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -69.76 -16.11 63.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.4 m -79.09 -29.9 43.59 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 118.265 0.484 . . . . 0.0 110.51 173.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -82.18 -16.32 50.17 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 122.918 0.487 . . . . 0.0 111.628 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.81 -26.67 66.19 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.747 0.419 . . . . 0.0 110.903 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -70.13 -7.58 42.75 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -76.24 -9.99 59.06 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.122 0 O-C-N 121.284 -0.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 49.3 m-85 -56.98 -12.47 2.04 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 -173.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.15 -19.44 61.77 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.03 -0.419 . . . . 0.0 110.616 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -91.66 -0.16 57.54 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.346 0.658 . . . . 0.0 111.865 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.43 -33.54 71.38 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.141 -0.35 . . . . 0.0 110.531 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -64.59 -26.71 68.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.243 0.217 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -78.36 -34.5 48.3 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.985 -0.447 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.65 -46.69 62.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -73.64 -15.48 61.25 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.4 t -79.75 -35.76 38.31 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 118.025 0.375 . . . . 0.0 110.465 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -78.73 -12.43 60.02 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 122.877 0.471 . . . . 0.0 111.874 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.5 tp -72.3 -26.65 62.05 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.761 0.424 . . . . 0.0 111.02 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -67.25 155.85 37.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.598 0.359 . . . . 0.0 110.903 -175.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.272 65.0 m-20 58.18 13.91 2.53 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 O-C-N 121.737 -0.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.8 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.268 50.3 m-85 -58.18 -11.3 2.5 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -173.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -72.61 -17.3 61.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.123 -0.361 . . . . 0.0 110.608 175.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtp-105 -96.13 5.98 49.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.655 0.782 . . . . 0.0 111.952 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -57.78 -39.25 77.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.038 0.381 . . . . 0.0 111.079 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 100.0 p -71.22 -22.08 62.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 119.792 -0.146 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -75.77 -22.87 56.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.906 0.321 . . . . 0.0 110.545 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -89.91 -47.44 7.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.474 0.31 . . . . 0.0 110.3 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.4 -22.4 63.7 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.8 p -76.95 -14.4 59.86 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.53 0.605 . . . . 0.0 110.751 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -98.92 -10.57 22.62 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.432 0.693 . . . . 0.0 111.508 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.1 tp -76.08 -28.57 57.63 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.82 0.448 . . . . 0.0 110.902 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -68.83 161.88 27.61 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.556 0.342 . . . . 0.0 111.54 -176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -70.72 -2.75 15.61 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.087 0 O-C-N 121.904 -0.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.353 -0.355 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.7 m-85 -57.43 -11.35 1.85 Allowed 'General case' 0 C--N 1.337 0.064 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -173.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -73.38 -18.3 61.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.174 -0.329 . . . . 0.0 110.635 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.98 -0.22 57.48 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.575 0.75 . . . . 0.0 111.572 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.95 -33.42 71.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 122.015 -0.428 . . . . 0.0 110.821 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -64.39 -26.75 68.6 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.209 0.204 . . . . 0.0 111.51 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -77.49 -34.95 54.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.699 0.227 . . . . 0.0 110.761 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.4 -46.48 60.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -72.78 -13.69 61.37 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -82.22 -36.07 27.58 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.099 0.409 . . . . 0.0 110.401 173.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -79.33 -12.13 59.93 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 122.827 0.451 . . . . 0.0 112.013 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 tp -73.39 -25.08 60.4 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.309 0.643 . . . . 0.0 110.963 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -68.4 159.99 30.48 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 111.415 -174.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.9 -1.41 14.25 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.175 0 O-C-N 122.156 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 49.7 m-85 -57.17 -12.91 2.53 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 118.175 2.658 . . . . 0.0 118.175 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -71.79 -18.4 62.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.217 0.462 . . . . 0.0 110.607 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -93.21 2.3 56.71 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.567 0.747 . . . . 0.0 111.935 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.97 -36.48 74.93 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.167 0.44 . . . . 0.0 111.275 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -67.33 -23.64 65.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.314 -0.241 . . . . 0.0 111.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -75.98 -32.42 59.46 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.979 -0.451 . . . . 0.0 110.456 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.41 -44.92 49.81 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -70.29 -16.34 63.01 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -80.23 -26.35 39.15 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 118.16 0.437 . . . . 0.0 110.602 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -87.64 -10.0 52.61 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.299 0.64 . . . . 0.0 111.659 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -72.68 -26.81 61.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.608 0.363 . . . . 0.0 110.766 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -71.43 -9.14 57.7 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -143.97 9.76 1.52 Allowed 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.084 0 O-C-N 121.747 -0.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.251 49.0 m-85 -56.28 -13.54 2.21 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -171.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -73.45 -20.91 60.59 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.343 0.52 . . . . 0.0 110.511 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -79.78 -12.23 59.79 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 122.742 0.417 . . . . 0.0 111.715 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.11 -30.69 66.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.621 0.368 . . . . 0.0 110.458 -178.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -64.26 -30.3 71.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 111.314 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -80.19 -32.99 38.58 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.986 0.357 . . . . 0.0 110.337 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -72.25 -45.71 59.03 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -72.73 -22.63 60.84 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -72.63 -20.33 61.29 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 117.855 0.298 . . . . 0.0 110.784 175.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -98.07 -16.03 19.76 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.384 0.673 . . . . 0.0 111.732 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.44 -34.35 36.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.821 0.449 . . . . 0.0 110.816 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -67.74 160.58 27.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 111.209 -177.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -70.48 98.39 1.44 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.19 -12.24 2.16 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 118.313 2.709 . . . . 0.0 118.313 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -71.73 -18.04 62.16 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.064 0.393 . . . . 0.0 110.69 175.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -94.16 4.04 54.43 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.423 0.689 . . . . 0.0 111.983 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -59.31 -34.46 72.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.28 0.491 . . . . 0.0 111.107 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -67.17 -29.59 69.33 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.203 0.201 . . . . 0.0 111.101 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -72.46 -23.49 61.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.155 -0.341 . . . . 0.0 111.024 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.23 -47.95 8.06 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -70.96 -24.42 62.41 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.7 p -75.47 -13.61 60.39 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 118.774 0.716 . . . . 0.0 110.707 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -100.78 -10.64 20.58 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 123.286 0.634 . . . . 0.0 111.572 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.3 tp -75.58 -29.24 59.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.841 0.456 . . . . 0.0 110.632 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.61 159.58 29.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.807 0.336 . . . . 0.0 111.284 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -73.54 -9.64 58.89 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.996 0.518 . . . . 0.0 109.861 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 O-C-N 121.406 -0.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.62 -11.15 1.88 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 118.17 2.655 . . . . 0.0 118.17 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -71.61 -19.31 62.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.099 0.408 . . . . 0.0 110.571 176.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -91.89 0.79 57.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.252 0.621 . . . . 0.0 112.27 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.57 -33.98 72.12 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.073 -0.392 . . . . 0.0 110.75 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -64.37 -25.89 68.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.138 0.175 . . . . 0.0 111.19 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -78.15 -36.38 47.75 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.09 -0.381 . . . . 0.0 110.754 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.02 -46.08 65.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -72.35 -14.4 61.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -81.75 -36.3 28.7 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.069 0.395 . . . . 0.0 110.199 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -80.05 -11.79 59.74 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 122.686 0.394 . . . . 0.0 111.34 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -71.48 -26.1 62.55 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.583 0.353 . . . . 0.0 110.747 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -68.67 160.11 30.83 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.994 0.426 . . . . 0.0 111.301 -175.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -142.2 8.22 1.82 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.155 0 O-C-N 121.987 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.9 m-85 -58.04 -11.1 2.2 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 -172.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -73.33 -17.54 61.29 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.002 -0.436 . . . . 0.0 110.388 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -92.04 -0.05 57.47 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.614 0.766 . . . . 0.0 111.891 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.89 -34.22 71.4 Favored 'General case' 0 C--O 1.228 -0.079 0 O-C-N 122.014 -0.429 . . . . 0.0 110.972 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 t -64.87 -25.74 68.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.245 0.218 . . . . 0.0 111.171 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -77.77 -35.08 52.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.11 -0.369 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -70.87 -46.06 63.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -72.71 -13.1 61.26 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.233 0.456 . . . . 0.0 112.233 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.2 t -82.95 -32.07 27.32 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.178 0.445 . . . . 0.0 110.558 173.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -80.96 -17.92 48.81 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 122.681 0.393 . . . . 0.0 111.577 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.86 -24.16 66.1 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.106 0.563 . . . . 0.0 110.549 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -70.08 -7.18 39.23 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.544 0.338 . . . . 0.0 111.849 -174.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -77.25 -10.04 59.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.105 0 O-C-N 121.419 -0.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -57.19 -12.53 2.33 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -72.03 -18.64 61.94 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.019 0.372 . . . . 0.0 110.522 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -91.46 -0.68 57.65 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.685 0.794 . . . . 0.0 112.017 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.51 -33.77 71.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.94 0.336 . . . . 0.0 111.058 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -65.2 -26.06 67.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.196 0.198 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -77.28 -35.78 54.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.946 0.339 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -71.98 -45.19 61.91 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -72.61 -14.82 61.7 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.0 t -81.0 -36.04 31.17 Favored 'General case' 0 C--N 1.339 0.131 0 O-C-N 122.041 -0.412 . . . . 0.0 110.455 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -76.72 -16.56 59.47 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 122.924 0.489 . . . . 0.0 111.609 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.93 -25.44 67.13 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.068 0.547 . . . . 0.0 110.897 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -68.98 -8.48 45.08 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.627 0.371 . . . . 0.0 111.957 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.99 -11.06 60.02 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 O-C-N 121.428 -0.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . 0.451 ' CH2' ' CE2' ' A' ' 2' ' ' TYR . 1.1 p90 . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.451 ' CE2' ' CH2' ' A' ' 1' ' ' TRP 0.271 31.5 m-85 -56.19 -13.8 2.33 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -169.447 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -75.28 -13.66 60.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 121.92 -0.487 . . . . 0.0 110.483 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -113.83 0.12 14.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.13 0.972 . . . . 0.0 112.511 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -32.07 69.57 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -69.7 -30.05 67.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.396 -0.19 . . . . 0.0 111.242 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -71.4 -26.15 62.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.842 -0.536 . . . . 0.0 111.201 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.48 -45.06 9.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 122.308 0.243 . . . . 0.0 110.582 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -70.59 -23.18 62.53 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.0 p -79.48 -16.5 55.95 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.285 0.493 . . . . 0.0 110.846 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -98.05 -11.7 22.67 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 123.28 0.632 . . . . 0.0 111.401 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 tp -74.31 -24.44 59.22 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.184 0.594 . . . . 0.0 110.881 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -66.67 162.35 21.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.672 0.389 . . . . 0.0 111.311 -174.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.49 -2.58 17.27 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.13 0 O-C-N 121.646 -0.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.282 -0.39 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 51.5 m-85 -57.33 -12.38 2.42 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -173.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -72.21 -18.7 61.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.066 -0.396 . . . . 0.0 110.796 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -92.83 3.01 56.45 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.498 0.719 . . . . 0.0 111.889 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -58.71 -34.53 71.42 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.379 0.536 . . . . 0.0 110.855 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -66.24 -28.13 68.49 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 122.169 0.188 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -76.17 -23.36 54.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.812 0.278 . . . . 0.0 111.198 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -87.77 -42.61 12.47 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -74.42 -29.96 61.72 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.6 t -64.66 -20.87 66.55 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.826 0.739 . . . . 0.0 111.095 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -82.67 11.71 5.53 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.662 0.785 . . . . 0.0 111.764 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.7 tp -145.06 -33.78 0.36 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.554 0.741 . . . . 0.0 110.974 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -64.0 154.01 35.48 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.495 1.118 . . . . 0.0 110.934 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.261 55.5 m-20 59.8 12.43 2.99 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.146 0 O-C-N 121.495 -0.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 119.519 -0.277 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 48.4 m-85 -58.09 -12.51 3.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 -173.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -72.68 -17.44 61.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.252 0.478 . . . . 0.0 110.459 176.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -94.61 0.64 55.31 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.76 0.824 . . . . 0.0 111.823 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.77 -36.76 72.58 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 117.951 0.341 . . . . 0.0 111.216 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -69.46 -19.16 63.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.236 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -80.71 -33.22 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.067 0.394 . . . . 0.0 110.174 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.74 -46.12 55.16 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -71.17 -15.44 62.48 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 t -78.9 -32.65 45.85 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 118.16 0.436 . . . . 0.0 110.319 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -82.89 -12.73 57.15 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 123.328 0.651 . . . . 0.0 111.503 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.1 tp -71.02 -24.95 62.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.892 0.477 . . . . 0.0 110.493 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.2 158.35 26.33 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.087 0.555 . . . . 0.0 111.154 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -75.64 -10.16 59.21 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.11 0 O-C-N 121.576 -0.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 49.6 m-85 -57.38 -10.48 1.39 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 -173.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.57 -17.69 61.68 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.106 -0.371 . . . . 0.0 110.458 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.9 mtm105 -94.91 2.54 55.42 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.114 0.566 . . . . 0.0 111.653 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.54 -34.9 71.53 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.19 0.45 . . . . 0.0 110.678 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -64.49 -28.98 70.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 122.406 -0.184 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -73.93 -34.07 64.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.181 -0.324 . . . . 0.0 110.696 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.66 -44.48 56.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 m80 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.292 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -56.98 -13.47 2.74 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -173.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -72.47 -17.49 61.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.822 -0.549 . . . . 0.0 110.578 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -94.02 3.31 55.51 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.495 0.718 . . . . 0.0 112.071 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.3 tp -58.93 -35.23 72.74 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.041 0.382 . . . . 0.0 111.037 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -65.53 -29.35 69.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.429 -0.169 . . . . 0.0 111.116 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -73.02 -30.91 64.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.697 0.226 . . . . 0.0 110.697 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.66 -45.56 24.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 m80 . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.084 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.4 -11.38 2.78 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -72.31 -17.94 61.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.945 -0.472 . . . . 0.0 110.584 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -94.61 4.46 53.82 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.406 0.683 . . . . 0.0 112.004 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 tp -58.79 -35.59 73.06 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 118.044 0.383 . . . . 0.0 110.772 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -67.23 -29.93 69.71 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.3 0.24 . . . . 0.0 110.952 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -72.35 -23.18 61.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.114 -0.366 . . . . 0.0 110.924 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -87.39 -49.4 7.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 . . . . . 0 C--O 1.231 0.121 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.585 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 119.502 -0.285 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -58.09 -12.02 3.07 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 118.048 2.61 . . . . 0.0 118.048 -173.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -71.42 -18.01 62.36 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.976 -0.452 . . . . 0.0 110.647 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -93.28 2.22 56.69 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.83 0.852 . . . . 0.0 111.992 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.29 -35.01 72.98 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.119 0.418 . . . . 0.0 110.955 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 t -67.43 -23.63 65.55 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.278 -0.264 . . . . 0.0 111.164 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -78.26 -29.88 48.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 117.959 0.345 . . . . 0.0 110.563 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -79.63 -46.39 17.29 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.8 m80 . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.277 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 119.614 -0.231 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -58.65 -11.41 3.05 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -73.1 -17.74 61.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.98 0.355 . . . . 0.0 110.541 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -92.96 3.58 55.49 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.803 0.841 . . . . 0.0 111.558 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.79 -42.21 98.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.14 0.427 . . . . 0.0 111.45 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -67.87 -28.35 67.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.365 -0.209 . . . . 0.0 110.8 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -73.57 -33.5 64.68 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.61 -46.75 45.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.996 0.518 . . . . 0.0 110.798 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.0 m80 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 178.835 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.259 50.2 m-85 -57.62 -12.0 2.52 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 117.905 2.557 . . . . 0.0 117.905 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.41 -17.77 61.78 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.167 -0.333 . . . . 0.0 110.404 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -93.3 0.35 56.95 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.616 0.766 . . . . 0.0 111.944 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -34.09 72.45 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.112 0.415 . . . . 0.0 110.888 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -64.58 -26.45 68.41 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.319 0.248 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -77.21 -34.88 56.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.127 -0.358 . . . . 0.0 110.544 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.31 -46.45 55.63 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m80 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.645 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.41 -11.41 2.82 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 118.113 2.634 . . . . 0.0 118.113 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.21 -17.77 61.89 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.073 -0.392 . . . . 0.0 110.711 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -94.74 4.46 53.81 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.575 0.75 . . . . 0.0 111.862 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.07 -35.16 72.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.862 -0.524 . . . . 0.0 111.262 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -68.22 -25.82 65.4 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.172 0.189 . . . . 0.0 111.184 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -75.33 -24.85 57.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 O-C-N 122.095 -0.378 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -87.24 -48.57 7.92 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.583 0.353 . . . . 0.0 110.2 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.836 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -57.35 -12.5 2.53 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -72.92 -16.95 61.54 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.113 0.415 . . . . 0.0 110.513 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -95.31 2.16 54.66 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.83 0.852 . . . . 0.0 111.715 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.68 -37.17 75.45 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.008 -0.432 . . . . 0.0 111.058 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -66.83 -22.98 65.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.473 -0.142 . . . . 0.0 111.374 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -76.3 -34.97 59.06 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 122.082 -0.386 . . . . 0.0 109.961 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.23 -44.52 62.79 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 m80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 49.3 m-85 -56.98 -12.47 2.04 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 -173.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.15 -19.44 61.77 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.03 -0.419 . . . . 0.0 110.616 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -91.66 -0.16 57.54 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.346 0.658 . . . . 0.0 111.865 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.43 -33.54 71.38 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.141 -0.35 . . . . 0.0 110.531 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -64.59 -26.71 68.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.243 0.217 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -78.36 -34.5 48.3 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.985 -0.447 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.65 -46.69 62.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.7 m80 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.357 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.8 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.268 50.3 m-85 -58.18 -11.3 2.5 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -173.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -72.61 -17.3 61.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.123 -0.361 . . . . 0.0 110.608 175.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtp-105 -96.13 5.98 49.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.655 0.782 . . . . 0.0 111.952 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -57.78 -39.25 77.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.038 0.381 . . . . 0.0 111.079 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 100.0 p -71.22 -22.08 62.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 119.792 -0.146 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -75.77 -22.87 56.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.906 0.321 . . . . 0.0 110.545 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -89.91 -47.44 7.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.474 0.31 . . . . 0.0 110.3 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.1 m80 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.129 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.353 -0.355 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.7 m-85 -57.43 -11.35 1.85 Allowed 'General case' 0 C--N 1.337 0.064 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -173.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -73.38 -18.3 61.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.174 -0.329 . . . . 0.0 110.635 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.98 -0.22 57.48 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.575 0.75 . . . . 0.0 111.572 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.95 -33.42 71.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 122.015 -0.428 . . . . 0.0 110.821 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -64.39 -26.75 68.6 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.209 0.204 . . . . 0.0 111.51 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -77.49 -34.95 54.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.699 0.227 . . . . 0.0 110.761 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.4 -46.48 60.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 m80 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.654 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 49.7 m-85 -57.17 -12.91 2.53 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 118.175 2.658 . . . . 0.0 118.175 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -71.79 -18.4 62.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.217 0.462 . . . . 0.0 110.607 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -93.21 2.3 56.71 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.567 0.747 . . . . 0.0 111.935 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.408 HD11 ' CE1' ' A' ' 9' ' ' HIS . 40.3 tp -58.97 -36.48 74.93 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.167 0.44 . . . . 0.0 111.275 -176.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -67.33 -23.64 65.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.314 -0.241 . . . . 0.0 111.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -75.98 -32.42 59.46 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.979 -0.451 . . . . 0.0 110.456 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.41 -44.92 49.81 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.408 ' CE1' HD11 ' A' ' 5' ' ' LEU . 13.0 m80 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.251 49.0 m-85 -56.28 -13.54 2.21 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -171.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -73.45 -20.91 60.59 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.343 0.52 . . . . 0.0 110.511 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -79.78 -12.23 59.79 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 122.742 0.417 . . . . 0.0 111.715 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.11 -30.69 66.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.621 0.368 . . . . 0.0 110.458 -178.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -64.26 -30.3 71.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 111.314 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -80.19 -32.99 38.58 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.986 0.357 . . . . 0.0 110.337 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -72.25 -45.71 59.03 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m80 . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.788 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.19 -12.24 2.16 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 118.313 2.709 . . . . 0.0 118.313 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -71.73 -18.04 62.16 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.064 0.393 . . . . 0.0 110.69 175.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -94.16 4.04 54.43 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.423 0.689 . . . . 0.0 111.983 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -59.31 -34.46 72.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.28 0.491 . . . . 0.0 111.107 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -67.17 -29.59 69.33 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.203 0.201 . . . . 0.0 111.101 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -72.46 -23.49 61.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.155 -0.341 . . . . 0.0 111.024 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.23 -47.95 8.06 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.834 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.62 -11.15 1.88 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 118.17 2.655 . . . . 0.0 118.17 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -71.61 -19.31 62.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.099 0.408 . . . . 0.0 110.571 176.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -91.89 0.79 57.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.252 0.621 . . . . 0.0 112.27 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.57 -33.98 72.12 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.073 -0.392 . . . . 0.0 110.75 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -64.37 -25.89 68.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.138 0.175 . . . . 0.0 111.19 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -78.15 -36.38 47.75 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.09 -0.381 . . . . 0.0 110.754 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.02 -46.08 65.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.5 m80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.753 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.9 m-85 -58.04 -11.1 2.2 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 -172.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -73.33 -17.54 61.29 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.002 -0.436 . . . . 0.0 110.388 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -92.04 -0.05 57.47 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.614 0.766 . . . . 0.0 111.891 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.89 -34.22 71.4 Favored 'General case' 0 C--O 1.228 -0.079 0 O-C-N 122.014 -0.429 . . . . 0.0 110.972 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 t -64.87 -25.74 68.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.245 0.218 . . . . 0.0 111.171 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -77.77 -35.08 52.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.11 -0.369 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -70.87 -46.06 63.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.0 m80 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 112.233 0.456 . . . . 0.0 112.233 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -57.19 -12.53 2.33 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -72.03 -18.64 61.94 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.019 0.372 . . . . 0.0 110.522 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -91.46 -0.68 57.65 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.685 0.794 . . . . 0.0 112.017 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.51 -33.77 71.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.94 0.336 . . . . 0.0 111.058 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -65.2 -26.06 67.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.196 0.198 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -77.28 -35.78 54.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.946 0.339 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -71.98 -45.19 61.91 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.4 m80 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.65 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . 0.451 ' CH2' ' CE2' ' A' ' 2' ' ' TYR . 1.1 p90 . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.451 ' CE2' ' CH2' ' A' ' 1' ' ' TRP 0.271 31.5 m-85 -56.19 -13.8 2.33 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -169.447 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -75.28 -13.66 60.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 121.92 -0.487 . . . . 0.0 110.483 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -113.83 0.12 14.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.13 0.972 . . . . 0.0 112.511 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -32.07 69.57 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -69.7 -30.05 67.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.396 -0.19 . . . . 0.0 111.242 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -71.4 -26.15 62.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.842 -0.536 . . . . 0.0 111.201 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.48 -45.06 9.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 122.308 0.243 . . . . 0.0 110.582 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.255 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.282 -0.39 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 51.5 m-85 -57.33 -12.38 2.42 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -173.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -72.21 -18.7 61.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.066 -0.396 . . . . 0.0 110.796 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -92.83 3.01 56.45 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.498 0.719 . . . . 0.0 111.889 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -58.71 -34.53 71.42 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.379 0.536 . . . . 0.0 110.855 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -66.24 -28.13 68.49 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 122.169 0.188 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -76.17 -23.36 54.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.812 0.278 . . . . 0.0 111.198 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -87.77 -42.61 12.47 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.4 m80 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.391 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 119.519 -0.277 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 48.4 m-85 -58.09 -12.51 3.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 -173.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -72.68 -17.44 61.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.252 0.478 . . . . 0.0 110.459 176.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -94.61 0.64 55.31 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.76 0.824 . . . . 0.0 111.823 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.77 -36.76 72.58 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 117.951 0.341 . . . . 0.0 111.216 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -69.46 -19.16 63.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.236 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -80.71 -33.22 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.067 0.394 . . . . 0.0 110.174 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.74 -46.12 55.16 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.6 m80 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.792 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 . . . . . 0 N--CA 1.477 0.882 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 49.6 m-85 -57.38 -10.48 1.39 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 118.219 2.674 . . . . 0.0 118.219 -173.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -72.57 -17.69 61.68 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.106 -0.371 . . . . 0.0 110.458 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.9 mtm105 -94.91 2.54 55.42 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 123.114 0.566 . . . . 0.0 111.653 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.2 tp -58.54 -34.9 71.53 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.19 0.45 . . . . 0.0 110.678 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -64.49 -28.98 70.03 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 122.406 -0.184 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -73.93 -34.07 64.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.181 -0.324 . . . . 0.0 110.696 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -73.66 -44.48 56.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -71.55 -15.31 62.28 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.7 m -79.77 -26.39 40.68 Favored 'General case' 0 N--CA 1.458 -0.068 0 O-C-N 121.849 -0.532 . . . . 0.0 110.586 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -88.31 -11.95 44.91 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.971 0.508 . . . . 0.0 111.908 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.6 tp -73.72 -24.39 59.91 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.2 0.6 . . . . 0.0 111.066 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -66.78 160.44 25.86 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.921 0.391 . . . . 0.0 111.139 -174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -76.78 0.39 20.8 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.067 0 O-C-N 121.854 -0.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -56.98 -13.47 2.74 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 118.142 2.645 . . . . 0.0 118.142 -173.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -72.47 -17.49 61.76 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.822 -0.549 . . . . 0.0 110.578 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -94.02 3.31 55.51 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 123.495 0.718 . . . . 0.0 112.071 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.3 tp -58.93 -35.23 72.74 Favored 'General case' 0 CA--C 1.526 0.036 0 CA-C-N 118.041 0.382 . . . . 0.0 111.037 -177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -65.53 -29.35 69.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.429 -0.169 . . . . 0.0 111.116 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -73.02 -30.91 64.11 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 117.697 0.226 . . . . 0.0 110.697 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -77.66 -45.56 24.6 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -68.96 -22.72 64.1 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.4 m -74.51 -9.89 59.02 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.236 0.471 . . . . 0.0 111.187 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -113.57 -13.37 12.76 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.797 0.839 . . . . 0.0 111.539 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.3 tp -76.65 -31.05 57.08 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.232 0.613 . . . . 0.0 110.23 175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -68.21 160.03 29.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.597 0.359 . . . . 0.0 111.11 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.38 -2.76 20.51 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.184 0 O-C-N 121.971 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.4 -11.38 2.78 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -72.31 -17.94 61.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.945 -0.472 . . . . 0.0 110.584 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -94.61 4.46 53.82 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 123.406 0.683 . . . . 0.0 112.004 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.7 tp -58.79 -35.59 73.06 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 118.044 0.383 . . . . 0.0 110.772 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -67.23 -29.93 69.71 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.3 0.24 . . . . 0.0 110.952 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -72.35 -23.18 61.1 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.114 -0.366 . . . . 0.0 110.924 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -87.39 -49.4 7.25 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -69.3 -28.15 66.01 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.7 p -74.94 -7.77 54.53 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.565 0.621 . . . . 0.0 111.208 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -112.47 -14.04 13.29 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.32 0.648 . . . . 0.0 110.994 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 tp -78.6 -31.25 47.03 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.846 0.458 . . . . 0.0 110.533 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -65.87 159.15 26.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.578 0.351 . . . . 0.0 110.962 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.272 75.2 m-20 58.02 13.65 2.3 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.059 0 O-C-N 121.761 -0.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.0 p-90 . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 119.502 -0.285 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -58.09 -12.02 3.07 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 118.048 2.61 . . . . 0.0 118.048 -173.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -71.42 -18.01 62.36 Favored 'General case' 0 CA--C 1.527 0.092 0 O-C-N 121.976 -0.452 . . . . 0.0 110.647 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -93.28 2.22 56.69 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.83 0.852 . . . . 0.0 111.992 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.6 tp -59.29 -35.01 72.98 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.119 0.418 . . . . 0.0 110.955 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 t -67.43 -23.63 65.55 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.278 -0.264 . . . . 0.0 111.164 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -78.26 -29.88 48.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 117.959 0.345 . . . . 0.0 110.563 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -79.63 -46.39 17.29 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -69.29 -23.45 63.82 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 t -73.85 -17.16 61.1 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.004 0.365 . . . . 0.0 110.796 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -102.36 -20.41 14.6 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 123.524 0.73 . . . . 0.0 111.396 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 tp -71.91 -31.56 66.51 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 122.784 0.434 . . . . 0.0 110.813 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -70.12 -5.34 26.32 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -76.32 -1.46 26.82 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.031 0 O-C-N 121.951 -0.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 119.614 -0.231 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -58.65 -11.41 3.05 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -73.1 -17.74 61.37 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.98 0.355 . . . . 0.0 110.541 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -92.96 3.58 55.49 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 123.803 0.841 . . . . 0.0 111.558 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.3 tp -61.79 -42.21 98.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.14 0.427 . . . . 0.0 111.45 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -67.87 -28.35 67.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 122.365 -0.209 . . . . 0.0 110.8 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -73.57 -33.5 64.68 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 tp -73.61 -46.75 45.07 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.996 0.518 . . . . 0.0 110.798 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -72.62 -18.69 61.56 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -76.88 -10.74 59.58 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 117.958 0.344 . . . . 0.0 111.067 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -113.85 -9.47 13.08 Favored 'General case' 0 C--O 1.228 -0.046 0 C-N-CA 123.672 0.789 . . . . 0.0 111.602 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 tp -75.99 -29.21 58.11 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.931 0.493 . . . . 0.0 110.303 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -71.75 -7.02 45.59 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.033 0.533 . . . . 0.0 112.427 -175.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -145.26 10.09 1.27 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 O-C-N 121.947 -0.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.259 50.2 m-85 -57.62 -12.0 2.52 Favored 'General case' 0 C--N 1.34 0.154 0 N-CA-C 117.905 2.557 . . . . 0.0 117.905 -174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.41 -17.77 61.78 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.167 -0.333 . . . . 0.0 110.404 175.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -93.3 0.35 56.95 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 123.616 0.766 . . . . 0.0 111.944 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.7 -34.09 72.45 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.112 0.415 . . . . 0.0 110.888 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -64.58 -26.45 68.41 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.319 0.248 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -77.21 -34.88 56.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.127 -0.358 . . . . 0.0 110.544 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.31 -46.45 55.63 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -72.94 -12.98 61.15 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.0 t -83.44 -36.37 24.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.043 0.383 . . . . 0.0 110.499 173.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -79.38 -11.32 59.92 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 122.708 0.403 . . . . 0.0 111.613 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.2 tp -72.47 -25.01 61.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.206 0.603 . . . . 0.0 110.714 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -72.14 -9.39 58.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -145.71 8.02 1.12 Allowed 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 122.045 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.41 -11.41 2.82 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 118.113 2.634 . . . . 0.0 118.113 -173.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.21 -17.77 61.89 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.073 -0.392 . . . . 0.0 110.711 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -94.74 4.46 53.81 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.575 0.75 . . . . 0.0 111.862 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.07 -35.16 72.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 121.862 -0.524 . . . . 0.0 111.262 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -68.22 -25.82 65.4 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.172 0.189 . . . . 0.0 111.184 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -75.33 -24.85 57.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 O-C-N 122.095 -0.378 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mp -87.24 -48.57 7.92 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.583 0.353 . . . . 0.0 110.2 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -70.27 -21.65 62.95 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -175.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.6 p -80.78 -15.11 57.29 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.491 0.587 . . . . 0.0 111.125 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -102.68 -9.0 20.44 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.138 0.575 . . . . 0.0 110.951 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.6 tp -74.72 -24.52 58.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.506 0.722 . . . . 0.0 110.467 176.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -66.29 154.59 39.54 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.496 0.319 . . . . 0.0 110.717 -174.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.266 66.9 m-20 57.58 13.28 1.84 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 116.635 2.087 . . . . 0.0 116.635 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.029 0 O-C-N 121.757 -0.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -57.35 -12.5 2.53 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 118.033 2.605 . . . . 0.0 118.033 -173.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -72.92 -16.95 61.54 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.113 0.415 . . . . 0.0 110.513 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.0 mtp85 -95.31 2.16 54.66 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.83 0.852 . . . . 0.0 111.715 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.68 -37.17 75.45 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 122.008 -0.432 . . . . 0.0 111.058 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -66.83 -22.98 65.99 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.473 -0.142 . . . . 0.0 111.374 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -76.3 -34.97 59.06 Favored 'General case' 0 C--N 1.343 0.294 0 O-C-N 122.082 -0.386 . . . . 0.0 109.961 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -72.23 -44.52 62.79 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -69.76 -16.11 63.25 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.4 m -79.09 -29.9 43.59 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 118.265 0.484 . . . . 0.0 110.51 173.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -82.18 -16.32 50.17 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 122.918 0.487 . . . . 0.0 111.628 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.81 -26.67 66.19 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.747 0.419 . . . . 0.0 110.903 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -70.13 -7.58 42.75 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -76.24 -9.99 59.06 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.122 0 O-C-N 121.284 -0.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 . . . . . 0 N--CA 1.475 0.817 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 49.3 m-85 -56.98 -12.47 2.04 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 -173.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -72.15 -19.44 61.77 Favored 'General case' 0 CA--C 1.529 0.142 0 O-C-N 122.03 -0.419 . . . . 0.0 110.616 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -91.66 -0.16 57.54 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.346 0.658 . . . . 0.0 111.865 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.8 tp -59.43 -33.54 71.38 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.141 -0.35 . . . . 0.0 110.531 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -64.59 -26.71 68.52 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.243 0.217 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -78.36 -34.5 48.3 Favored 'General case' 0 N--CA 1.456 -0.129 0 O-C-N 121.985 -0.447 . . . . 0.0 110.589 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.65 -46.69 62.79 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.7 m80 -73.64 -15.48 61.25 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.4 t -79.75 -35.76 38.31 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 118.025 0.375 . . . . 0.0 110.465 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -78.73 -12.43 60.02 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 122.877 0.471 . . . . 0.0 111.874 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.5 tp -72.3 -26.65 62.05 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 122.761 0.424 . . . . 0.0 111.02 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -67.25 155.85 37.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.598 0.359 . . . . 0.0 110.903 -175.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.272 65.0 m-20 58.18 13.91 2.53 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 O-C-N 121.737 -0.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 49.8 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.575 -0.25 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.268 50.3 m-85 -58.18 -11.3 2.5 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -173.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 -72.61 -17.3 61.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.123 -0.361 . . . . 0.0 110.608 175.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtp-105 -96.13 5.98 49.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.655 0.782 . . . . 0.0 111.952 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -57.78 -39.25 77.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.038 0.381 . . . . 0.0 111.079 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 100.0 p -71.22 -22.08 62.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 119.792 -0.146 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -75.77 -22.87 56.03 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 117.906 0.321 . . . . 0.0 110.545 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -89.91 -47.44 7.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.474 0.31 . . . . 0.0 110.3 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -69.4 -22.4 63.7 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.8 p -76.95 -14.4 59.86 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.53 0.605 . . . . 0.0 110.751 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -98.92 -10.57 22.62 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.432 0.693 . . . . 0.0 111.508 176.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.1 tp -76.08 -28.57 57.63 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.82 0.448 . . . . 0.0 110.902 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -68.83 161.88 27.61 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.556 0.342 . . . . 0.0 111.54 -176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -70.72 -2.75 15.61 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.087 0 O-C-N 121.904 -0.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 119.353 -0.355 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.7 m-85 -57.43 -11.35 1.85 Allowed 'General case' 0 C--N 1.337 0.064 0 N-CA-C 118.181 2.66 . . . . 0.0 118.181 -173.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -73.38 -18.3 61.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.174 -0.329 . . . . 0.0 110.635 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -91.98 -0.22 57.48 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.575 0.75 . . . . 0.0 111.572 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.95 -33.42 71.89 Favored 'General case' 0 N--CA 1.457 -0.125 0 O-C-N 122.015 -0.428 . . . . 0.0 110.821 -177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -64.39 -26.75 68.6 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.209 0.204 . . . . 0.0 111.51 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -77.49 -34.95 54.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 117.699 0.227 . . . . 0.0 110.761 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.4 -46.48 60.12 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -72.78 -13.69 61.37 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.7 t -82.22 -36.07 27.58 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.099 0.409 . . . . 0.0 110.401 173.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -79.33 -12.13 59.93 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 122.827 0.451 . . . . 0.0 112.013 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 tp -73.39 -25.08 60.4 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.309 0.643 . . . . 0.0 110.963 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -68.4 159.99 30.48 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 111.415 -174.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -71.9 -1.41 14.25 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.175 0 O-C-N 122.156 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.4 p-90 . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.254 49.7 m-85 -57.17 -12.91 2.53 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 118.175 2.658 . . . . 0.0 118.175 -173.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -71.79 -18.4 62.1 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.217 0.462 . . . . 0.0 110.607 175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -93.21 2.3 56.71 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.567 0.747 . . . . 0.0 111.935 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.408 HD11 ' CE1' ' A' ' 9' ' ' HIS . 40.3 tp -58.97 -36.48 74.93 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.167 0.44 . . . . 0.0 111.275 -176.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 m -67.33 -23.64 65.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.314 -0.241 . . . . 0.0 111.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -75.98 -32.42 59.46 Favored 'General case' 0 N--CA 1.456 -0.132 0 O-C-N 121.979 -0.451 . . . . 0.0 110.456 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.41 -44.92 49.81 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.408 ' CE1' HD11 ' A' ' 5' ' ' LEU . 13.0 m80 -70.29 -16.34 63.01 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -80.23 -26.35 39.15 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 118.16 0.437 . . . . 0.0 110.602 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -87.64 -10.0 52.61 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.299 0.64 . . . . 0.0 111.659 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.9 tp -72.68 -26.81 61.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.608 0.363 . . . . 0.0 110.766 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -71.43 -9.14 57.7 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -174.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -143.97 9.76 1.52 Allowed 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.084 0 O-C-N 121.747 -0.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.251 49.0 m-85 -56.28 -13.54 2.21 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 -171.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -73.45 -20.91 60.59 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.343 0.52 . . . . 0.0 110.511 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -79.78 -12.23 59.79 Favored 'General case' 0 CA--C 1.522 -0.106 0 C-N-CA 122.742 0.417 . . . . 0.0 111.715 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.11 -30.69 66.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.621 0.368 . . . . 0.0 110.458 -178.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -64.26 -30.3 71.35 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 111.314 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -80.19 -32.99 38.58 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 117.986 0.357 . . . . 0.0 110.337 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mp -72.25 -45.71 59.03 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -72.73 -22.63 60.84 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -72.63 -20.33 61.29 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 117.855 0.298 . . . . 0.0 110.784 175.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -98.07 -16.03 19.76 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.384 0.673 . . . . 0.0 111.732 176.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.7 tp -80.44 -34.35 36.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.821 0.449 . . . . 0.0 110.816 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -67.74 160.58 27.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 111.209 -177.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -70.48 98.39 1.44 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.19 -12.24 2.16 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 118.313 2.709 . . . . 0.0 118.313 -174.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -71.73 -18.04 62.16 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.064 0.393 . . . . 0.0 110.69 175.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -94.16 4.04 54.43 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.423 0.689 . . . . 0.0 111.983 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -59.31 -34.46 72.34 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 118.28 0.491 . . . . 0.0 111.107 -177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -67.17 -29.59 69.33 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.203 0.201 . . . . 0.0 111.101 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -72.46 -23.49 61.06 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.155 -0.341 . . . . 0.0 111.024 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mp -88.23 -47.95 8.06 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -70.96 -24.42 62.41 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.7 p -75.47 -13.61 60.39 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 118.774 0.716 . . . . 0.0 110.707 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -100.78 -10.64 20.58 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 123.286 0.634 . . . . 0.0 111.572 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.3 tp -75.58 -29.24 59.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.841 0.456 . . . . 0.0 110.632 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.61 159.58 29.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.807 0.336 . . . . 0.0 111.284 -176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -73.54 -9.64 58.89 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.996 0.518 . . . . 0.0 109.861 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 O-C-N 121.406 -0.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 119.42 -0.324 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -57.62 -11.15 1.88 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 118.17 2.655 . . . . 0.0 118.17 -173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -71.61 -19.31 62.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.099 0.408 . . . . 0.0 110.571 176.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -91.89 0.79 57.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.252 0.621 . . . . 0.0 112.27 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.2 tp -59.57 -33.98 72.12 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.073 -0.392 . . . . 0.0 110.75 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -64.37 -25.89 68.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.138 0.175 . . . . 0.0 111.19 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -78.15 -36.38 47.75 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.09 -0.381 . . . . 0.0 110.754 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -70.02 -46.08 65.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -72.35 -14.4 61.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -81.75 -36.3 28.7 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 118.069 0.395 . . . . 0.0 110.199 174.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -80.05 -11.79 59.74 Favored 'General case' 0 CA--C 1.527 0.086 0 C-N-CA 122.686 0.394 . . . . 0.0 111.34 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -71.48 -26.1 62.55 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.583 0.353 . . . . 0.0 110.747 177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -68.67 160.11 30.83 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.994 0.426 . . . . 0.0 111.301 -175.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -142.2 8.22 1.82 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.155 0 O-C-N 121.987 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.253 47.9 m-85 -58.04 -11.1 2.2 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 -172.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -73.33 -17.54 61.29 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 122.002 -0.436 . . . . 0.0 110.388 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -92.04 -0.05 57.47 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.614 0.766 . . . . 0.0 111.891 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.2 tp -58.89 -34.22 71.4 Favored 'General case' 0 C--O 1.228 -0.079 0 O-C-N 122.014 -0.429 . . . . 0.0 110.972 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 t -64.87 -25.74 68.03 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.245 0.218 . . . . 0.0 111.171 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -77.77 -35.08 52.03 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.11 -0.369 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -70.87 -46.06 63.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -72.71 -13.1 61.26 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.233 0.456 . . . . 0.0 112.233 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.2 t -82.95 -32.07 27.32 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.178 0.445 . . . . 0.0 110.558 173.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -80.96 -17.92 48.81 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 122.681 0.393 . . . . 0.0 111.577 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.8 tp -66.86 -24.16 66.1 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.106 0.563 . . . . 0.0 110.549 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -70.08 -7.18 39.23 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 122.544 0.338 . . . . 0.0 111.849 -174.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -77.25 -10.04 59.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.105 0 O-C-N 121.419 -0.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -57.19 -12.53 2.33 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -173.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -72.03 -18.64 61.94 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.019 0.372 . . . . 0.0 110.522 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -91.46 -0.68 57.65 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.685 0.794 . . . . 0.0 112.017 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.51 -33.77 71.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.94 0.336 . . . . 0.0 111.058 -176.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -65.2 -26.06 67.97 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.196 0.198 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -77.28 -35.78 54.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 117.946 0.339 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -71.98 -45.19 61.91 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -72.61 -14.82 61.7 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.0 t -81.0 -36.04 31.17 Favored 'General case' 0 C--N 1.339 0.131 0 O-C-N 122.041 -0.412 . . . . 0.0 110.455 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -76.72 -16.56 59.47 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 122.924 0.489 . . . . 0.0 111.609 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.93 -25.44 67.13 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.068 0.547 . . . . 0.0 110.897 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -68.98 -8.48 45.08 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.627 0.371 . . . . 0.0 111.957 -175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -74.99 -11.06 60.02 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 O-C-N 121.428 -0.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . 0.451 ' CH2' ' CE2' ' A' ' 2' ' ' TYR . 1.1 p90 . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.451 ' CE2' ' CH2' ' A' ' 1' ' ' TRP 0.271 31.5 m-85 -56.19 -13.8 2.33 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 -169.447 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -75.28 -13.66 60.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 121.92 -0.487 . . . . 0.0 110.483 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -113.83 0.12 14.36 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.13 0.972 . . . . 0.0 112.511 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.17 -32.07 69.57 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 t -69.7 -30.05 67.6 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.396 -0.19 . . . . 0.0 111.242 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -71.4 -26.15 62.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.842 -0.536 . . . . 0.0 111.201 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -89.48 -45.06 9.7 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 122.308 0.243 . . . . 0.0 110.582 177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -70.59 -23.18 62.53 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.0 p -79.48 -16.5 55.95 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.285 0.493 . . . . 0.0 110.846 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -98.05 -11.7 22.67 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 123.28 0.632 . . . . 0.0 111.401 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 tp -74.31 -24.44 59.22 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.184 0.594 . . . . 0.0 110.881 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -66.67 162.35 21.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.672 0.389 . . . . 0.0 111.311 -174.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.49 -2.58 17.27 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.13 0 O-C-N 121.646 -0.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.282 -0.39 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.25 51.5 m-85 -57.33 -12.38 2.42 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -173.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -72.21 -18.7 61.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.066 -0.396 . . . . 0.0 110.796 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -92.83 3.01 56.45 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.498 0.719 . . . . 0.0 111.889 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -58.71 -34.53 71.42 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.379 0.536 . . . . 0.0 110.855 -177.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -66.24 -28.13 68.49 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 122.169 0.188 . . . . 0.0 111.059 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -76.17 -23.36 54.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.812 0.278 . . . . 0.0 111.198 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mp -87.77 -42.61 12.47 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -74.42 -29.96 61.72 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.6 t -64.66 -20.87 66.55 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.826 0.739 . . . . 0.0 111.095 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -82.67 11.71 5.53 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.662 0.785 . . . . 0.0 111.764 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.7 tp -145.06 -33.78 0.36 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.554 0.741 . . . . 0.0 110.974 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -64.0 154.01 35.48 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.495 1.118 . . . . 0.0 110.934 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.261 55.5 m-20 59.8 12.43 2.99 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.146 0 O-C-N 121.495 -0.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 119.519 -0.277 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . 0.26 48.4 m-85 -58.09 -12.51 3.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 117.895 2.554 . . . . 0.0 117.895 -173.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -72.68 -17.44 61.64 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 118.252 0.478 . . . . 0.0 110.459 176.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -94.61 0.64 55.31 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.76 0.824 . . . . 0.0 111.823 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.77 -36.76 72.58 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 117.951 0.341 . . . . 0.0 111.216 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -69.46 -19.16 63.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 119.764 -0.16 . . . . 0.0 111.236 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -80.71 -33.22 35.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.067 0.394 . . . . 0.0 110.174 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.6 mp -72.74 -46.12 55.16 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -71.17 -15.44 62.48 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 t -78.9 -32.65 45.85 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 118.16 0.436 . . . . 0.0 110.319 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -82.89 -12.73 57.15 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 123.328 0.651 . . . . 0.0 111.503 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.1 tp -71.02 -24.95 62.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.892 0.477 . . . . 0.0 110.493 176.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.2 158.35 26.33 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.087 0.555 . . . . 0.0 111.154 -175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -75.64 -10.16 59.21 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.11 0 O-C-N 121.576 -0.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_