data_1lb7_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 1lb7 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -149.83 161.43 42.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.589 1.156 . . . . 0.0 109.059 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.62 -37.87 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.068 0.547 . . . . 0.0 110.816 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.77 -53.68 52.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.576 0.75 . . . . 0.0 110.473 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.7 79.08 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.222 0.609 . . . . 0.0 111.014 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.22 -55.09 35.29 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.691 1.197 . . . . 0.0 109.901 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -53.53 -60.76 2.9 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.177 0.991 . . . . 0.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -58.45 -39.85 81.02 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.838 0.29 . . . . 0.0 111.679 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.92 -52.61 63.38 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.636 0.774 . . . . 0.0 111.532 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? . . . . . 0 CA--C 1.533 0.289 0 CA-C-N 118.205 0.457 . . . . 0.0 112.036 -176.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -158.41 169.04 25.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 108.597 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.0 -35.3 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.92 0.488 . . . . 0.0 110.939 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.97 72.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.816 0.847 . . . . 0.0 110.744 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.73 84.43 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 122.978 0.511 . . . . 0.0 110.928 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.97 -56.01 21.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.947 1.299 . . . . 0.0 109.458 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -53.61 -52.41 59.93 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.05 1.34 . . . . 0.0 111.665 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.41 -52.11 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.411 0.684 . . . . 0.0 110.229 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 t -58.02 -49.34 77.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.152 1.381 . . . . 0.0 112.089 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 ptt? . . . . . 0 CA--C 1.532 0.27 0 CA-C-N 118.093 0.406 . . . . 0.0 111.298 -179.015 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -154.18 162.95 40.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.01 0.924 . . . . 0.0 109.79 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -62.24 -35.26 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.406 0.682 . . . . 0.0 110.632 173.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.85 74.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.641 0.776 . . . . 0.0 110.554 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.91 52.59 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 122.851 0.461 . . . . 0.0 110.405 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.17 -59.09 4.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.841 1.256 . . . . 0.0 110.365 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -48.04 -64.0 0.91 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.515 1.526 . . . . 0.0 111.408 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -65.48 -40.01 92.6 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.476 0.31 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.05 -58.49 8.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.747 0.819 . . . . 0.0 111.401 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.596 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -152.52 166.61 31.48 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.877 1.271 . . . . 0.0 109.174 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -62.65 -39.47 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.04 0.536 . . . . 0.0 110.603 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.98 73.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.495 0.718 . . . . 0.0 110.682 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.01 87.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.357 0.663 . . . . 0.0 111.088 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.81 -54.24 37.09 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.752 1.221 . . . . 0.0 110.429 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -59.84 -55.16 37.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.482 0.713 . . . . 0.0 111.209 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.24 -47.45 72.23 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.965 0.506 . . . . 0.0 110.928 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -60.67 -49.99 75.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.419 1.088 . . . . 0.0 111.813 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 118.521 0.601 . . . . 0.0 111.881 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -102.85 158.3 16.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 109.835 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.28 -36.37 68.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.022 0.529 . . . . 0.0 110.545 173.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.66 80.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.906 0.883 . . . . 0.0 111.06 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.28 94.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.07 0.548 . . . . 0.0 110.915 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.19 -55.31 35.38 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.88 0.872 . . . . 0.0 109.66 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -51.57 -51.44 55.44 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.712 1.605 . . . . 0.0 111.587 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -56.43 -55.4 34.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.357 1.063 . . . . 0.0 109.827 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.9 t -59.78 -48.77 80.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.229 1.412 . . . . 0.0 112.527 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 118.016 0.371 . . . . 0.0 111.85 -175.822 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -131.95 162.26 31.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.091 1.357 . . . . 0.0 108.974 173.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -61.01 -39.69 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 122.889 0.476 . . . . 0.0 110.747 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.72 -55.48 33.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.45 0.7 . . . . 0.0 110.353 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.56 79.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.19 0.596 . . . . 0.0 111.022 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.84 -59.73 4.33 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 125.082 1.353 . . . . 0.0 110.498 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.43 0.692 . . . . 0.0 111.033 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -59.65 -40.09 86.57 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.722 0.409 . . . . 0.0 111.614 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.37 -56.17 20.92 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.317 0.647 . . . . 0.0 111.523 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ptp . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 118.213 0.461 . . . . 0.0 111.427 -177.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -151.55 166.25 31.75 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.119 1.368 . . . . 0.0 108.671 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -59.39 -37.52 69.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.974 0.51 . . . . 0.0 110.497 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.37 -53.53 51.07 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.831 0.852 . . . . 0.0 110.617 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.08 85.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.769 0.428 . . . . 0.0 111.295 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.48 -47.78 84.11 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.469 0.707 . . . . 0.0 110.304 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -55.55 -49.0 73.83 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.702 1.201 . . . . 0.0 111.443 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.72 -47.91 83.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.949 0.499 . . . . 0.0 110.721 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.9 t -60.34 -50.77 72.28 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.225 1.01 . . . . 0.0 112.083 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 CA--C 1.533 0.299 0 CA-C-N 118.204 0.457 . . . . 0.0 111.096 -178.661 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 119.847 -0.12 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -157.61 165.18 36.2 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.297 1.039 . . . . 0.0 109.658 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.46 -37.53 79.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.334 0.653 . . . . 0.0 110.689 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.57 62.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.538 0.735 . . . . 0.0 110.516 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.48 65.32 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.672 0.389 . . . . 0.0 110.664 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -52.41 -58.58 6.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.464 1.105 . . . . 0.0 110.892 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -53.81 -61.05 2.55 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 124.016 0.926 . . . . 0.0 111.588 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -58.61 -39.68 81.12 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.008 0.523 . . . . 0.0 111.628 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -61.81 -48.74 79.23 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 111.991 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 ptp . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 118.851 0.751 . . . . 0.0 111.894 179.452 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -152.63 163.7 39.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.234 1.014 . . . . 0.0 109.689 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.28 -38.16 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.656 0.782 . . . . 0.0 110.738 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -52.18 60.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 110.535 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -47.88 82.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.865 0.466 . . . . 0.0 111.067 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.4 tp -53.82 -54.85 32.58 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.772 1.229 . . . . 0.0 110.566 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -53.28 -55.43 24.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.431 1.492 . . . . 0.0 111.305 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -59.2 -43.84 92.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.831 0.452 . . . . 0.0 110.951 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.3 t -63.47 -44.42 94.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.065 0.946 . . . . 0.0 112.38 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.6 ptp . . . . . 0 CA--C 1.532 0.288 0 CA-C-N 118.581 0.628 . . . . 0.0 111.663 177.469 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 119.779 -0.153 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -151.34 165.47 33.97 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.044 0.938 . . . . 0.0 109.935 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.99 -35.48 73.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.441 0.696 . . . . 0.0 110.833 174.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.52 74.01 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.704 0.802 . . . . 0.0 110.449 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.52 90.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.022 0.529 . . . . 0.0 110.85 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.94 -44.4 92.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.978 0.511 . . . . 0.0 110.785 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.01 -47.8 81.96 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.702 1.201 . . . . 0.0 110.982 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.72 -50.4 73.64 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.12 -48.01 79.71 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.799 1.24 . . . . 0.0 112.32 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 CA--C 1.534 0.335 0 CA-C-N 118.177 0.444 . . . . 0.0 112.005 -178.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -148.93 168.23 23.63 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.943 1.297 . . . . 0.0 109.276 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.0 -34.44 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.254 0.622 . . . . 0.0 110.874 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.66 67.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.764 0.826 . . . . 0.0 110.433 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.72 68.49 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.743 0.417 . . . . 0.0 110.915 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.73 -50.46 73.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.672 1.189 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -52.53 -55.87 19.18 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.981 1.313 . . . . 0.0 111.529 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.67 -42.13 82.61 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.905 0.482 . . . . 0.0 111.353 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.15 -45.4 87.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.911 0.885 . . . . 0.0 111.234 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.448 -0.539 0 C-N-CA 124.623 1.169 . . . . 0.0 110.019 175.367 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -154.98 165.14 37.67 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.118 1.367 . . . . 0.0 108.903 174.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -58.88 -42.06 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.12 87.41 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.736 0.814 . . . . 0.0 111.148 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.34 94.65 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.926 0.491 . . . . 0.0 111.182 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.33 -52.18 66.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.792 0.837 . . . . 0.0 110.244 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -54.67 -50.79 67.36 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.809 0.843 . . . . 0.0 111.392 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -55.34 34.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.105 0.562 . . . . 0.0 109.527 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.1 t -57.81 -51.55 69.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.406 1.482 . . . . 0.0 112.211 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 CA--C 1.532 0.274 0 CA-C-N 118.138 0.426 . . . . 0.0 111.094 -179.324 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -154.96 171.44 19.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.214 1.406 . . . . 0.0 108.966 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -61.61 -39.89 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 122.853 0.461 . . . . 0.0 110.503 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.39 75.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.686 0.794 . . . . 0.0 110.708 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.32 97.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.107 0.563 . . . . 0.0 111.086 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.39 -51.81 66.09 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.528 0.731 . . . . 0.0 109.718 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -54.41 -50.97 66.34 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.705 0.802 . . . . 0.0 111.072 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -57.82 -51.98 67.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.112 0.565 . . . . 0.0 110.792 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -56.83 -48.19 78.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.682 1.193 . . . . 0.0 111.628 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.45 -0.473 0 C-N-CA 125.637 1.575 . . . . 0.0 110.877 -179.481 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 119.854 -0.117 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -156.73 164.94 37.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.283 1.033 . . . . 0.0 109.609 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.78 -34.93 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.457 0.703 . . . . 0.0 110.924 174.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -48.84 68.48 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.763 0.825 . . . . 0.0 110.407 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.46 -50.29 74.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 110.505 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.24 -52.64 58.32 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.996 0.919 . . . . 0.0 110.618 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -54.99 -53.64 53.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.74 1.216 . . . . 0.0 111.775 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -71.64 -40.15 69.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.339 0.656 . . . . 0.0 111.854 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.43 -43.3 96.9 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.255 0.622 . . . . 0.0 110.85 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.8 ttp . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 124.791 1.236 . . . . 0.0 111.051 -179.288 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -146.88 163.46 36.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.536 1.135 . . . . 0.0 109.542 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.06 -45.64 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 123.701 0.8 . . . . 0.0 109.283 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.4 81.77 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.587 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.19 82.55 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.933 0.493 . . . . 0.0 111.123 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.6 -52.97 63.27 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.271 1.028 . . . . 0.0 109.621 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -54.22 -51.01 65.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.47 1.508 . . . . 0.0 111.572 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.37 -44.26 97.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.113 0.565 . . . . 0.0 110.437 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.33 -51.21 69.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.481 0.712 . . . . 0.0 112.249 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 CA--C 1.532 0.27 0 CA-C-N 118.132 0.424 . . . . 0.0 111.61 -176.679 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 N--CA 1.455 -0.177 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -153.43 165.04 37.05 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.115 1.366 . . . . 0.0 108.604 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.28 -36.02 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 122.95 0.5 . . . . 0.0 110.482 172.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.25 12.75 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.229 0.612 . . . . 0.0 110.118 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.2 -43.5 78.57 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 111.498 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.9 -54.99 26.65 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.536 1.134 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -56.32 -51.63 67.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.601 0.76 . . . . 0.0 112.194 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.73 -52.75 62.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 119.0 0.818 . . . . 0.0 110.928 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.4 t -58.09 -44.66 87.72 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.317 1.047 . . . . 0.0 111.639 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.45 -0.473 0 C-N-CA 124.473 1.109 . . . . 0.0 110.456 177.275 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 110.586 -0.153 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -150.4 162.22 40.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.538 1.135 . . . . 0.0 109.203 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.78 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.264 0.625 . . . . 0.0 110.635 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.66 68.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.626 0.77 . . . . 0.0 110.796 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.44 -49.92 74.69 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.397 0.679 . . . . 0.0 110.853 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.55 -58.59 6.88 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.6 1.16 . . . . 0.0 109.917 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -53.12 -55.3 25.05 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 123.779 0.832 . . . . 0.0 111.664 -176.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -67.14 -39.06 86.49 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.817 0.735 . . . . 0.0 112.838 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -54.45 -41.98 70.07 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.992 0.517 . . . . 0.0 111.241 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 169.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -139.86 162.78 34.34 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.553 1.141 . . . . 0.0 109.773 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.72 -42.36 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.907 0.883 . . . . 0.0 109.697 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.96 90.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.874 0.869 . . . . 0.0 111.423 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.01 87.47 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.936 0.494 . . . . 0.0 111.502 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.52 -50.93 69.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.882 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -52.62 -50.74 62.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.174 1.39 . . . . 0.0 110.424 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -56.91 -42.16 79.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.624 0.77 . . . . 0.0 111.45 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -48.73 47.37 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.458 1.103 . . . . 0.0 111.007 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 109.885 177.042 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -155.67 173.5 16.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 125.177 1.391 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.61 -38.94 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.266 0.627 . . . . 0.0 110.748 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.09 86.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.7 0.8 . . . . 0.0 110.541 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.34 -52.11 64.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.082 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.71 -43.91 95.2 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.523 -174.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt85 -67.9 -46.29 72.03 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.125 0.42 . . . . 0.0 110.748 -177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -67.08 -39.65 86.84 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.602 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.19 -47.06 87.56 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.107 0.563 . . . . 0.0 110.551 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp . . . . . 0 CA--C 1.534 0.345 0 C-N-CA 124.432 1.093 . . . . 0.0 111.518 177.861 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -146.71 165.78 28.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.336 1.455 . . . . 0.0 108.544 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.38 -40.03 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 122.661 0.384 . . . . 0.0 110.485 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.31 69.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.86 0.864 . . . . 0.0 110.743 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.16 97.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.088 0.555 . . . . 0.0 111.468 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.95 -57.0 13.38 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.004 0.922 . . . . 0.0 109.45 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -48.16 -61.71 1.85 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 125.078 1.351 . . . . 0.0 110.671 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.22 -50.2 16.15 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.293 1.437 . . . . 0.0 111.641 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -63.33 -63.14 1.27 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.094 0.958 . . . . 0.0 111.993 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 118.681 0.673 . . . . 0.0 112.701 -169.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 120.836 0.35 . . . . 0.0 110.105 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -82.86 79.65 9.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.2 m -53.52 -40.94 65.84 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.842 0.857 . . . . 0.0 112.274 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.42 59.42 4.8 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 110.088 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -115.28 -33.13 5.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.335 1.454 . . . . 0.0 110.598 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -149.83 161.43 42.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.589 1.156 . . . . 0.0 109.059 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.62 -37.87 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.068 0.547 . . . . 0.0 110.816 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.77 -53.68 52.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.576 0.75 . . . . 0.0 110.473 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.7 79.08 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.222 0.609 . . . . 0.0 111.014 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.22 -55.09 35.29 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.691 1.197 . . . . 0.0 109.901 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -53.53 -60.76 2.9 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.177 0.991 . . . . 0.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -58.45 -39.85 81.02 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.838 0.29 . . . . 0.0 111.679 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.92 -52.61 63.38 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.636 0.774 . . . . 0.0 111.532 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -68.77 -31.76 71.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.205 0.457 . . . . 0.0 112.036 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -63.06 -51.14 67.84 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 171.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.33 -1.816 . . . . 0.0 109.413 179.493 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.981 -0.057 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -130.37 133.63 46.54 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.466 1.107 . . . . 0.0 108.383 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.9 m -81.84 75.04 8.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.177 0.991 . . . . 0.0 111.0 -173.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -136.24 52.92 1.95 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.088 0.955 . . . . 0.0 109.915 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -87.92 -43.47 11.75 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.193 0.997 . . . . 0.0 109.013 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -158.41 169.04 25.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 108.597 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.0 -35.3 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.92 0.488 . . . . 0.0 110.939 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.97 72.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.816 0.847 . . . . 0.0 110.744 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.73 84.43 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 122.978 0.511 . . . . 0.0 110.928 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.97 -56.01 21.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.947 1.299 . . . . 0.0 109.458 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -53.61 -52.41 59.93 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.05 1.34 . . . . 0.0 111.665 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.41 -52.11 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.411 0.684 . . . . 0.0 110.229 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 t -58.02 -49.34 77.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.152 1.381 . . . . 0.0 112.089 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -66.43 -32.16 73.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.093 0.406 . . . . 0.0 111.298 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -86.67 40.75 0.91 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.358 0.663 . . . . 0.0 110.987 170.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.02 -1.989 . . . . 0.0 111.463 177.125 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 120.463 0.173 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -75.8 86.13 2.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -81.28 50.06 1.37 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.011 0.925 . . . . 0.0 110.462 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -144.14 4.22 1.24 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.609 1.564 . . . . 0.0 110.958 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.33 -29.2 70.28 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.404 1.081 . . . . 0.0 111.684 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -154.18 162.95 40.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.01 0.924 . . . . 0.0 109.79 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -62.24 -35.26 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.406 0.682 . . . . 0.0 110.632 173.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.85 74.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.641 0.776 . . . . 0.0 110.554 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.91 52.59 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 122.851 0.461 . . . . 0.0 110.405 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.17 -59.09 4.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.841 1.256 . . . . 0.0 110.365 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -48.04 -64.0 0.91 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.515 1.526 . . . . 0.0 111.408 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -65.48 -40.01 92.6 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.476 0.31 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.05 -58.49 8.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.747 0.819 . . . . 0.0 111.401 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -68.51 -54.28 17.83 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -88.52 57.3 4.15 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.355 -1.803 . . . . 0.0 109.559 -177.191 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -71.06 177.44 3.75 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.025 0.93 . . . . 0.0 112.487 -173.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.89 -21.36 65.95 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.16 51.42 2.14 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.903 0.774 . . . . 0.0 110.745 -169.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.83 -32.31 35.19 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.488 1.115 . . . . 0.0 110.534 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -152.52 166.61 31.48 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.877 1.271 . . . . 0.0 109.174 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -62.65 -39.47 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.04 0.536 . . . . 0.0 110.603 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.98 73.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.495 0.718 . . . . 0.0 110.682 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.01 87.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.357 0.663 . . . . 0.0 111.088 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.81 -54.24 37.09 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.752 1.221 . . . . 0.0 110.429 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -59.84 -55.16 37.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.482 0.713 . . . . 0.0 111.209 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.24 -47.45 72.23 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.965 0.506 . . . . 0.0 110.928 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -60.67 -49.99 75.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.419 1.088 . . . . 0.0 111.813 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -69.32 -27.09 65.06 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.521 0.601 . . . . 0.0 111.881 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -80.75 10.25 5.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.49 0.716 . . . . 0.0 111.791 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 117.166 -1.908 . . . . 0.0 109.569 -174.534 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.669 -0.123 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -74.72 154.29 38.47 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.945 0.498 . . . . 0.0 110.253 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -59.52 -46.06 89.94 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.439 1.096 . . . . 0.0 111.413 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -89.59 67.92 7.59 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.663 0.785 . . . . 0.0 109.719 -173.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -128.68 -71.67 0.63 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.096 1.359 . . . . 0.0 108.452 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -102.85 158.3 16.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 109.835 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.28 -36.37 68.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.022 0.529 . . . . 0.0 110.545 173.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.66 80.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.906 0.883 . . . . 0.0 111.06 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.28 94.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.07 0.548 . . . . 0.0 110.915 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.19 -55.31 35.38 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.88 0.872 . . . . 0.0 109.66 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -51.57 -51.44 55.44 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.712 1.605 . . . . 0.0 111.587 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -56.43 -55.4 34.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.357 1.063 . . . . 0.0 109.827 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.9 t -59.78 -48.77 80.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.229 1.412 . . . . 0.0 112.527 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -65.43 -33.78 76.75 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.016 0.371 . . . . 0.0 111.85 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -68.02 -51.83 42.52 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 170.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.32 -1.822 . . . . 0.0 109.432 179.57 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.462 0.172 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -153.96 159.15 41.56 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.06 0.944 . . . . 0.0 109.243 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.0 m -63.43 -51.0 67.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.587 0.755 . . . . 0.0 109.927 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -88.88 80.19 7.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -146.42 -51.67 0.23 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.746 1.618 . . . . 0.0 109.2 -173.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -131.95 162.26 31.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.091 1.357 . . . . 0.0 108.974 173.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -61.01 -39.69 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 122.889 0.476 . . . . 0.0 110.747 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.72 -55.48 33.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.45 0.7 . . . . 0.0 110.353 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.56 79.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.19 0.596 . . . . 0.0 111.022 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.84 -59.73 4.33 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 125.082 1.353 . . . . 0.0 110.498 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.43 0.692 . . . . 0.0 111.033 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -59.65 -40.09 86.57 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.722 0.409 . . . . 0.0 111.614 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.37 -56.17 20.92 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.317 0.647 . . . . 0.0 111.523 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ptp -68.28 -42.38 79.62 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.213 0.461 . . . . 0.0 111.427 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -93.82 55.65 2.18 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.796 0.839 . . . . 0.0 109.393 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 CA-C-O 117.386 -1.786 . . . . 0.0 109.655 -178.765 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.371 0.129 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -77.23 76.36 3.78 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.527 0.731 . . . . 0.0 109.303 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -90.05 -21.92 22.1 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.434 1.094 . . . . 0.0 111.805 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -89.12 57.2 3.98 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.707 0.803 . . . . 0.0 109.754 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -95.62 -42.87 8.19 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.339 1.456 . . . . 0.0 108.954 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -151.55 166.25 31.75 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.119 1.368 . . . . 0.0 108.671 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -59.39 -37.52 69.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.974 0.51 . . . . 0.0 110.497 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.37 -53.53 51.07 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.831 0.852 . . . . 0.0 110.617 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.08 85.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.769 0.428 . . . . 0.0 111.295 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.48 -47.78 84.11 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.469 0.707 . . . . 0.0 110.304 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -55.55 -49.0 73.83 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.702 1.201 . . . . 0.0 111.443 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.72 -47.91 83.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.949 0.499 . . . . 0.0 110.721 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.9 t -60.34 -50.77 72.28 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.225 1.01 . . . . 0.0 112.083 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.0 ptm -66.24 -41.05 90.56 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.204 0.457 . . . . 0.0 111.096 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -96.73 49.56 1.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.451 0.701 . . . . 0.0 109.97 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.134 0 CA-C-O 116.992 -2.005 . . . . 0.0 109.882 -178.603 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.222 0.082 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -80.72 48.57 1.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.621 1.168 . . . . 0.0 111.849 -176.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.6 m -84.5 68.42 10.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.737 1.215 . . . . 0.0 110.204 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -133.93 39.5 3.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.438 0.695 . . . . 0.0 110.67 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -89.49 -31.25 17.75 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.171 0.988 . . . . 0.0 110.863 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -157.61 165.18 36.2 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.297 1.039 . . . . 0.0 109.658 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.46 -37.53 79.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.334 0.653 . . . . 0.0 110.689 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.57 62.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.538 0.735 . . . . 0.0 110.516 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.48 65.32 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.672 0.389 . . . . 0.0 110.664 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -52.41 -58.58 6.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.464 1.105 . . . . 0.0 110.892 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -53.81 -61.05 2.55 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 124.016 0.926 . . . . 0.0 111.588 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -58.61 -39.68 81.12 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.008 0.523 . . . . 0.0 111.628 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -61.81 -48.74 79.23 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 111.991 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 ptp -67.99 -33.77 75.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.851 0.751 . . . . 0.0 111.894 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -65.67 -41.58 92.3 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 117.987 0.358 . . . . 0.0 110.255 174.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.2 0 CA-C-O 117.015 -1.992 . . . . 0.0 110.024 -179.728 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -81.02 69.24 7.58 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.293 1.037 . . . . 0.0 109.654 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -69.4 -49.01 59.28 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.526 0.73 . . . . 0.0 110.671 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -89.95 58.1 4.06 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.515 0.726 . . . . 0.0 110.618 -170.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -119.06 -30.92 4.87 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.255 1.422 . . . . 0.0 111.1 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -152.63 163.7 39.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.234 1.014 . . . . 0.0 109.689 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.28 -38.16 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.656 0.782 . . . . 0.0 110.738 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -52.18 60.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 110.535 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -47.88 82.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.865 0.466 . . . . 0.0 111.067 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.4 tp -53.82 -54.85 32.58 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.772 1.229 . . . . 0.0 110.566 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -53.28 -55.43 24.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.431 1.492 . . . . 0.0 111.305 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -59.2 -43.84 92.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.831 0.452 . . . . 0.0 110.951 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.3 t -63.47 -44.42 94.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.065 0.946 . . . . 0.0 112.38 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.6 ptp -65.98 -32.76 74.43 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.581 0.628 . . . . 0.0 111.663 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -79.19 169.06 18.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.101 0.56 . . . . 0.0 110.566 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.254 -1.859 . . . . 0.0 110.067 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -117.39 176.04 5.34 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.021 1.329 . . . . 0.0 110.411 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.6 m -58.41 -40.08 81.48 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.471 0.708 . . . . 0.0 112.068 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -89.54 20.67 3.81 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.236 0.614 . . . . 0.0 112.101 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -71.05 -30.53 66.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.734 0.697 . . . . 0.0 110.863 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -151.34 165.47 33.97 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.044 0.938 . . . . 0.0 109.935 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.99 -35.48 73.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.441 0.696 . . . . 0.0 110.833 174.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.52 74.01 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.704 0.802 . . . . 0.0 110.449 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.52 90.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.022 0.529 . . . . 0.0 110.85 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.94 -44.4 92.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.978 0.511 . . . . 0.0 110.785 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.01 -47.8 81.96 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.702 1.201 . . . . 0.0 110.982 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.72 -50.4 73.64 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.12 -48.01 79.71 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.799 1.24 . . . . 0.0 112.32 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ptp -63.2 -33.64 75.92 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.177 0.444 . . . . 0.0 112.005 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -71.99 -50.68 26.66 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.782 0.433 . . . . 0.0 109.854 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 CA-C-O 117.23 -1.872 . . . . 0.0 108.95 -177.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -63.41 123.56 19.04 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 170.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.5 m -62.94 -45.13 93.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.845 0.858 . . . . 0.0 110.63 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -89.87 63.92 6.2 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 123.619 0.768 . . . . 0.0 109.642 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -124.79 -47.51 1.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.226 1.81 . . . . 0.0 109.349 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -148.93 168.23 23.63 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.943 1.297 . . . . 0.0 109.276 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.0 -34.44 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.254 0.622 . . . . 0.0 110.874 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.66 67.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.764 0.826 . . . . 0.0 110.433 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.72 68.49 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.743 0.417 . . . . 0.0 110.915 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.73 -50.46 73.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.672 1.189 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -52.53 -55.87 19.18 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.981 1.313 . . . . 0.0 111.529 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.67 -42.13 82.61 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.905 0.482 . . . . 0.0 111.353 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.15 -45.4 87.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.911 0.885 . . . . 0.0 111.234 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.8 ttp -61.45 -48.86 79.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.623 1.169 . . . . 0.0 110.019 175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -84.05 52.61 2.35 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.73 0.812 . . . . 0.0 110.548 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.145 -1.919 . . . . 0.0 111.087 179.127 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.672 0.273 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -81.96 60.36 4.77 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.153 0.981 . . . . 0.0 109.97 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m -83.97 57.98 4.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.285 1.034 . . . . 0.0 110.319 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -132.77 39.05 3.36 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.769 0.828 . . . . 0.0 109.684 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.72 -39.31 20.28 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.425 1.09 . . . . 0.0 109.394 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -154.98 165.14 37.67 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.118 1.367 . . . . 0.0 108.903 174.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -58.88 -42.06 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.12 87.41 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.736 0.814 . . . . 0.0 111.148 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.34 94.65 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.926 0.491 . . . . 0.0 111.182 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.33 -52.18 66.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.792 0.837 . . . . 0.0 110.244 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -54.67 -50.79 67.36 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.809 0.843 . . . . 0.0 111.392 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -55.34 34.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.105 0.562 . . . . 0.0 109.527 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.1 t -57.81 -51.55 69.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.406 1.482 . . . . 0.0 112.211 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 ptm -63.04 -38.23 90.34 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.138 0.426 . . . . 0.0 111.094 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -94.8 49.25 1.23 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.547 0.739 . . . . 0.0 110.307 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 117.206 -1.885 . . . . 0.0 111.423 176.822 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.68 0.276 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -157.19 141.99 16.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.741 1.217 . . . . 0.0 108.094 -178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -60.38 -45.74 92.46 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.314 0.646 . . . . 0.0 109.321 171.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -89.38 47.54 1.5 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.159 0.584 . . . . 0.0 110.662 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -87.0 -43.88 12.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.629 1.172 . . . . 0.0 108.99 169.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -154.96 171.44 19.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.214 1.406 . . . . 0.0 108.966 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -61.61 -39.89 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 122.853 0.461 . . . . 0.0 110.503 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.39 75.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.686 0.794 . . . . 0.0 110.708 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.32 97.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.107 0.563 . . . . 0.0 111.086 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.39 -51.81 66.09 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.528 0.731 . . . . 0.0 109.718 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -54.41 -50.97 66.34 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.705 0.802 . . . . 0.0 111.072 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -57.82 -51.98 67.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.112 0.565 . . . . 0.0 110.792 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -56.83 -48.19 78.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.682 1.193 . . . . 0.0 111.628 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 ttt -58.34 -50.08 74.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.637 1.575 . . . . 0.0 110.877 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -70.44 -37.63 74.4 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.434 0.694 . . . . 0.0 110.885 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.337 -1.813 . . . . 0.0 109.555 179.226 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.425 0.155 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -79.37 156.23 28.05 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.62 0.768 . . . . 0.0 110.224 -174.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.4 m -80.07 63.97 4.75 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.175 0.99 . . . . 0.0 111.013 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -136.89 25.6 3.04 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.067 0.947 . . . . 0.0 111.071 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.33 -32.38 66.46 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.186 0.595 . . . . 0.0 111.06 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -156.73 164.94 37.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.283 1.033 . . . . 0.0 109.609 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.78 -34.93 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.457 0.703 . . . . 0.0 110.924 174.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -48.84 68.48 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.763 0.825 . . . . 0.0 110.407 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.46 -50.29 74.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 110.505 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.24 -52.64 58.32 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.996 0.919 . . . . 0.0 110.618 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -54.99 -53.64 53.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.74 1.216 . . . . 0.0 111.775 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -71.64 -40.15 69.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.339 0.656 . . . . 0.0 111.854 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.43 -43.3 96.9 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.255 0.622 . . . . 0.0 110.85 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.8 ttp -69.8 -60.76 2.11 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.791 1.236 . . . . 0.0 111.051 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -82.18 -66.89 0.83 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.901 0.48 . . . . 0.0 110.872 -174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 CA-C-O 116.955 -2.025 . . . . 0.0 109.529 -176.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.315 0.117 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -82.66 93.08 7.28 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -67.07 -43.27 83.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.333 1.053 . . . . 0.0 111.093 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -89.72 88.53 7.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.913 0.885 . . . . 0.0 110.43 -171.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -150.18 -38.52 0.14 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.041 1.337 . . . . 0.0 110.74 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -146.88 163.46 36.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.536 1.135 . . . . 0.0 109.542 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.06 -45.64 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 123.701 0.8 . . . . 0.0 109.283 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.4 81.77 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.587 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.19 82.55 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.933 0.493 . . . . 0.0 111.123 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.6 -52.97 63.27 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.271 1.028 . . . . 0.0 109.621 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -54.22 -51.01 65.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.47 1.508 . . . . 0.0 111.572 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.37 -44.26 97.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.113 0.565 . . . . 0.0 110.437 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.33 -51.21 69.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.481 0.712 . . . . 0.0 112.249 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.3 ptm -66.99 -34.43 77.73 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.132 0.424 . . . . 0.0 111.61 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -64.47 -48.18 76.23 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.421 -1.766 . . . . 0.0 109.261 -179.451 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -69.24 148.01 50.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.473 0.709 . . . . 0.0 110.283 172.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.5 m -83.18 58.46 4.46 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.545 0.738 . . . . 0.0 111.252 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -142.87 50.17 1.45 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.545 1.138 . . . . 0.0 109.065 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -88.7 -43.11 11.55 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.41 1.084 . . . . 0.0 109.382 173.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -153.43 165.04 37.05 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.115 1.366 . . . . 0.0 108.604 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.28 -36.02 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 122.95 0.5 . . . . 0.0 110.482 172.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.25 12.75 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.229 0.612 . . . . 0.0 110.118 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.2 -43.5 78.57 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 111.498 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.9 -54.99 26.65 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.536 1.134 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -56.32 -51.63 67.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.601 0.76 . . . . 0.0 112.194 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.73 -52.75 62.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 119.0 0.818 . . . . 0.0 110.928 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.4 t -58.09 -44.66 87.72 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.317 1.047 . . . . 0.0 111.639 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.4 ttp -61.62 -45.26 94.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.473 1.109 . . . . 0.0 110.456 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -85.83 46.53 1.33 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.025 0.93 . . . . 0.0 110.458 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.15 0 CA-C-O 117.159 -1.912 . . . . 0.0 110.849 -178.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 111.209 0.077 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -81.91 65.4 7.03 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.843 0.857 . . . . 0.0 109.388 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.95 -31.31 72.45 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.042 0.937 . . . . 0.0 112.331 -176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -89.02 60.36 5.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.748 0.819 . . . . 0.0 109.143 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -118.28 -33.94 4.23 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.13 1.772 . . . . 0.0 110.586 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -150.4 162.22 40.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.538 1.135 . . . . 0.0 109.203 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.78 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.264 0.625 . . . . 0.0 110.635 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.66 68.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.626 0.77 . . . . 0.0 110.796 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.44 -49.92 74.69 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.397 0.679 . . . . 0.0 110.853 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.55 -58.59 6.88 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.6 1.16 . . . . 0.0 109.917 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -53.12 -55.3 25.05 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 123.779 0.832 . . . . 0.0 111.664 -176.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -67.14 -39.06 86.49 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.817 0.735 . . . . 0.0 112.838 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -54.45 -41.98 70.07 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.992 0.517 . . . . 0.0 111.241 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 mmt -65.81 -57.36 8.14 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 169.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -89.82 62.82 5.86 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.157 1.383 . . . . 0.0 109.448 -170.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.236 -1.869 . . . . 0.0 110.664 -178.041 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.916 0.388 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -78.45 61.22 2.8 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.427 1.091 . . . . 0.0 110.441 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -59.15 -50.53 73.7 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.389 1.076 . . . . 0.0 111.345 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -89.46 60.38 5.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.456 0.702 . . . . 0.0 109.406 -172.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.86 -45.26 1.29 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.197 1.799 . . . . 0.0 109.265 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -139.86 162.78 34.34 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.553 1.141 . . . . 0.0 109.773 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.72 -42.36 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.907 0.883 . . . . 0.0 109.697 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.96 90.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.874 0.869 . . . . 0.0 111.423 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.01 87.47 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.936 0.494 . . . . 0.0 111.502 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.52 -50.93 69.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.882 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -52.62 -50.74 62.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.174 1.39 . . . . 0.0 110.424 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -56.91 -42.16 79.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.624 0.77 . . . . 0.0 111.45 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -48.73 47.37 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.458 1.103 . . . . 0.0 111.007 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtt -67.17 -55.66 13.18 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 109.885 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -100.26 68.39 1.42 Allowed 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.901 0.88 . . . . 0.0 110.628 -169.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.175 -1.903 . . . . 0.0 111.328 174.633 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.444 0.164 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -70.91 150.98 45.19 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.304 0.642 . . . . 0.0 109.64 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.7 m -79.17 68.35 5.12 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.289 1.035 . . . . 0.0 111.429 -173.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -144.25 51.52 1.29 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.372 1.069 . . . . 0.0 109.657 173.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -82.92 -44.21 15.61 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.475 1.11 . . . . 0.0 109.203 172.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -155.67 173.5 16.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 125.177 1.391 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.61 -38.94 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.266 0.627 . . . . 0.0 110.748 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.09 86.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.7 0.8 . . . . 0.0 110.541 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.34 -52.11 64.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.082 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.71 -43.91 95.2 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.523 -174.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt85 -67.9 -46.29 72.03 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.125 0.42 . . . . 0.0 110.748 -177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -67.08 -39.65 86.84 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.602 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.19 -47.06 87.56 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.107 0.563 . . . . 0.0 110.551 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -58.74 -48.97 79.34 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.432 1.093 . . . . 0.0 111.518 177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -71.61 -35.23 70.41 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.257 0.623 . . . . 0.0 112.015 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.199 0 CA-C-O 117.142 -1.921 . . . . 0.0 109.331 -171.617 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -148.68 158.22 43.99 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.84 0.856 . . . . 0.0 109.718 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.63 -50.08 68.55 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.977 0.911 . . . . 0.0 109.656 173.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -89.06 70.3 8.45 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -127.39 -47.2 1.45 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.597 1.959 . . . . 0.0 108.975 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -146.71 165.78 28.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.336 1.455 . . . . 0.0 108.544 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.38 -40.03 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 122.661 0.384 . . . . 0.0 110.485 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.31 69.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.86 0.864 . . . . 0.0 110.743 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.16 97.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.088 0.555 . . . . 0.0 111.468 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.95 -57.0 13.38 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.004 0.922 . . . . 0.0 109.45 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -48.16 -61.71 1.85 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 125.078 1.351 . . . . 0.0 110.671 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.22 -50.2 16.15 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.293 1.437 . . . . 0.0 111.641 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -63.33 -63.14 1.27 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.094 0.958 . . . . 0.0 111.993 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.07 64.11 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.681 0.673 . . . . 0.0 112.701 -169.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -67.5 -45.34 76.11 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.192 0.451 . . . . 0.0 109.906 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.078 -1.957 . . . . 0.0 110.044 -179.118 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -149.83 161.43 42.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.589 1.156 . . . . 0.0 109.059 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.62 -37.87 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.068 0.547 . . . . 0.0 110.816 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.77 -53.68 52.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.576 0.75 . . . . 0.0 110.473 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.7 79.08 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.222 0.609 . . . . 0.0 111.014 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.22 -55.09 35.29 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.691 1.197 . . . . 0.0 109.901 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -53.53 -60.76 2.9 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.177 0.991 . . . . 0.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -58.45 -39.85 81.02 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.838 0.29 . . . . 0.0 111.679 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.92 -52.61 63.38 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.636 0.774 . . . . 0.0 111.532 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? . . . . . 0 CA--C 1.533 0.289 0 CA-C-N 118.205 0.457 . . . . 0.0 112.036 -176.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -158.41 169.04 25.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 108.597 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.0 -35.3 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.92 0.488 . . . . 0.0 110.939 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.97 72.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.816 0.847 . . . . 0.0 110.744 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.73 84.43 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 122.978 0.511 . . . . 0.0 110.928 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.97 -56.01 21.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.947 1.299 . . . . 0.0 109.458 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -53.61 -52.41 59.93 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.05 1.34 . . . . 0.0 111.665 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.41 -52.11 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.411 0.684 . . . . 0.0 110.229 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 t -58.02 -49.34 77.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.152 1.381 . . . . 0.0 112.089 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 ptt? . . . . . 0 CA--C 1.532 0.27 0 CA-C-N 118.093 0.406 . . . . 0.0 111.298 -179.015 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -154.18 162.95 40.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.01 0.924 . . . . 0.0 109.79 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -62.24 -35.26 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.406 0.682 . . . . 0.0 110.632 173.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.85 74.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.641 0.776 . . . . 0.0 110.554 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.91 52.59 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 122.851 0.461 . . . . 0.0 110.405 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.17 -59.09 4.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.841 1.256 . . . . 0.0 110.365 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -48.04 -64.0 0.91 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.515 1.526 . . . . 0.0 111.408 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -65.48 -40.01 92.6 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.476 0.31 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.05 -58.49 8.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.747 0.819 . . . . 0.0 111.401 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.596 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -152.52 166.61 31.48 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.877 1.271 . . . . 0.0 109.174 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -62.65 -39.47 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.04 0.536 . . . . 0.0 110.603 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.98 73.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.495 0.718 . . . . 0.0 110.682 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.01 87.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.357 0.663 . . . . 0.0 111.088 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.81 -54.24 37.09 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.752 1.221 . . . . 0.0 110.429 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -59.84 -55.16 37.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.482 0.713 . . . . 0.0 111.209 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.24 -47.45 72.23 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.965 0.506 . . . . 0.0 110.928 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -60.67 -49.99 75.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.419 1.088 . . . . 0.0 111.813 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 118.521 0.601 . . . . 0.0 111.881 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -102.85 158.3 16.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 109.835 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.28 -36.37 68.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.022 0.529 . . . . 0.0 110.545 173.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.66 80.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.906 0.883 . . . . 0.0 111.06 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.28 94.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.07 0.548 . . . . 0.0 110.915 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.19 -55.31 35.38 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.88 0.872 . . . . 0.0 109.66 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -51.57 -51.44 55.44 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.712 1.605 . . . . 0.0 111.587 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -56.43 -55.4 34.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.357 1.063 . . . . 0.0 109.827 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.9 t -59.78 -48.77 80.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.229 1.412 . . . . 0.0 112.527 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 118.016 0.371 . . . . 0.0 111.85 -175.822 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -131.95 162.26 31.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.091 1.357 . . . . 0.0 108.974 173.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -61.01 -39.69 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 122.889 0.476 . . . . 0.0 110.747 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.72 -55.48 33.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.45 0.7 . . . . 0.0 110.353 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.56 79.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.19 0.596 . . . . 0.0 111.022 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.84 -59.73 4.33 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 125.082 1.353 . . . . 0.0 110.498 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.43 0.692 . . . . 0.0 111.033 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -59.65 -40.09 86.57 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.722 0.409 . . . . 0.0 111.614 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.37 -56.17 20.92 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.317 0.647 . . . . 0.0 111.523 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ptp . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 118.213 0.461 . . . . 0.0 111.427 -177.827 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -151.55 166.25 31.75 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.119 1.368 . . . . 0.0 108.671 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -59.39 -37.52 69.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.974 0.51 . . . . 0.0 110.497 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.37 -53.53 51.07 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.831 0.852 . . . . 0.0 110.617 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.08 85.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.769 0.428 . . . . 0.0 111.295 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.48 -47.78 84.11 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.469 0.707 . . . . 0.0 110.304 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -55.55 -49.0 73.83 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.702 1.201 . . . . 0.0 111.443 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.72 -47.91 83.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.949 0.499 . . . . 0.0 110.721 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.9 t -60.34 -50.77 72.28 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.225 1.01 . . . . 0.0 112.083 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 CA--C 1.533 0.299 0 CA-C-N 118.204 0.457 . . . . 0.0 111.096 -178.661 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 119.847 -0.12 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -157.61 165.18 36.2 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.297 1.039 . . . . 0.0 109.658 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.46 -37.53 79.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.334 0.653 . . . . 0.0 110.689 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.57 62.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.538 0.735 . . . . 0.0 110.516 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.48 65.32 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.672 0.389 . . . . 0.0 110.664 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -52.41 -58.58 6.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.464 1.105 . . . . 0.0 110.892 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -53.81 -61.05 2.55 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 124.016 0.926 . . . . 0.0 111.588 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -58.61 -39.68 81.12 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.008 0.523 . . . . 0.0 111.628 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -61.81 -48.74 79.23 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 111.991 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 ptp . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 118.851 0.751 . . . . 0.0 111.894 179.452 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -152.63 163.7 39.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.234 1.014 . . . . 0.0 109.689 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.28 -38.16 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.656 0.782 . . . . 0.0 110.738 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -52.18 60.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 110.535 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -47.88 82.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.865 0.466 . . . . 0.0 111.067 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.4 tp -53.82 -54.85 32.58 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.772 1.229 . . . . 0.0 110.566 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -53.28 -55.43 24.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.431 1.492 . . . . 0.0 111.305 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -59.2 -43.84 92.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.831 0.452 . . . . 0.0 110.951 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.3 t -63.47 -44.42 94.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.065 0.946 . . . . 0.0 112.38 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.6 ptp . . . . . 0 CA--C 1.532 0.288 0 CA-C-N 118.581 0.628 . . . . 0.0 111.663 177.469 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 119.779 -0.153 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -151.34 165.47 33.97 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.044 0.938 . . . . 0.0 109.935 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.99 -35.48 73.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.441 0.696 . . . . 0.0 110.833 174.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.52 74.01 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.704 0.802 . . . . 0.0 110.449 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.52 90.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.022 0.529 . . . . 0.0 110.85 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.94 -44.4 92.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.978 0.511 . . . . 0.0 110.785 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.01 -47.8 81.96 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.702 1.201 . . . . 0.0 110.982 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.72 -50.4 73.64 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.12 -48.01 79.71 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.799 1.24 . . . . 0.0 112.32 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 CA--C 1.534 0.335 0 CA-C-N 118.177 0.444 . . . . 0.0 112.005 -178.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -148.93 168.23 23.63 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.943 1.297 . . . . 0.0 109.276 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.0 -34.44 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.254 0.622 . . . . 0.0 110.874 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.66 67.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.764 0.826 . . . . 0.0 110.433 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.72 68.49 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.743 0.417 . . . . 0.0 110.915 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.73 -50.46 73.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.672 1.189 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -52.53 -55.87 19.18 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.981 1.313 . . . . 0.0 111.529 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.67 -42.13 82.61 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.905 0.482 . . . . 0.0 111.353 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.15 -45.4 87.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.911 0.885 . . . . 0.0 111.234 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.448 -0.539 0 C-N-CA 124.623 1.169 . . . . 0.0 110.019 175.367 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -154.98 165.14 37.67 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.118 1.367 . . . . 0.0 108.903 174.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -58.88 -42.06 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.12 87.41 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.736 0.814 . . . . 0.0 111.148 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.34 94.65 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.926 0.491 . . . . 0.0 111.182 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.33 -52.18 66.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.792 0.837 . . . . 0.0 110.244 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -54.67 -50.79 67.36 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.809 0.843 . . . . 0.0 111.392 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -55.34 34.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.105 0.562 . . . . 0.0 109.527 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.1 t -57.81 -51.55 69.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.406 1.482 . . . . 0.0 112.211 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 CA--C 1.532 0.274 0 CA-C-N 118.138 0.426 . . . . 0.0 111.094 -179.324 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -154.96 171.44 19.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.214 1.406 . . . . 0.0 108.966 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -61.61 -39.89 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 122.853 0.461 . . . . 0.0 110.503 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.39 75.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.686 0.794 . . . . 0.0 110.708 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.32 97.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.107 0.563 . . . . 0.0 111.086 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.39 -51.81 66.09 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.528 0.731 . . . . 0.0 109.718 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -54.41 -50.97 66.34 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.705 0.802 . . . . 0.0 111.072 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -57.82 -51.98 67.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.112 0.565 . . . . 0.0 110.792 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -56.83 -48.19 78.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.682 1.193 . . . . 0.0 111.628 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.45 -0.473 0 C-N-CA 125.637 1.575 . . . . 0.0 110.877 -179.481 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 119.854 -0.117 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -156.73 164.94 37.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.283 1.033 . . . . 0.0 109.609 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.78 -34.93 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.457 0.703 . . . . 0.0 110.924 174.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -48.84 68.48 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.763 0.825 . . . . 0.0 110.407 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.46 -50.29 74.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 110.505 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.24 -52.64 58.32 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.996 0.919 . . . . 0.0 110.618 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -54.99 -53.64 53.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.74 1.216 . . . . 0.0 111.775 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -71.64 -40.15 69.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.339 0.656 . . . . 0.0 111.854 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.43 -43.3 96.9 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.255 0.622 . . . . 0.0 110.85 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.8 ttp . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 124.791 1.236 . . . . 0.0 111.051 -179.288 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -146.88 163.46 36.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.536 1.135 . . . . 0.0 109.542 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.06 -45.64 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 123.701 0.8 . . . . 0.0 109.283 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.4 81.77 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.587 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.19 82.55 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.933 0.493 . . . . 0.0 111.123 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.6 -52.97 63.27 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.271 1.028 . . . . 0.0 109.621 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -54.22 -51.01 65.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.47 1.508 . . . . 0.0 111.572 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.37 -44.26 97.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.113 0.565 . . . . 0.0 110.437 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.33 -51.21 69.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.481 0.712 . . . . 0.0 112.249 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 CA--C 1.532 0.27 0 CA-C-N 118.132 0.424 . . . . 0.0 111.61 -176.679 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 N--CA 1.455 -0.177 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -153.43 165.04 37.05 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.115 1.366 . . . . 0.0 108.604 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.28 -36.02 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 122.95 0.5 . . . . 0.0 110.482 172.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.25 12.75 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.229 0.612 . . . . 0.0 110.118 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.2 -43.5 78.57 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 111.498 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.9 -54.99 26.65 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.536 1.134 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -56.32 -51.63 67.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.601 0.76 . . . . 0.0 112.194 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.73 -52.75 62.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 119.0 0.818 . . . . 0.0 110.928 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.4 t -58.09 -44.66 87.72 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.317 1.047 . . . . 0.0 111.639 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.45 -0.473 0 C-N-CA 124.473 1.109 . . . . 0.0 110.456 177.275 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 110.586 -0.153 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -150.4 162.22 40.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.538 1.135 . . . . 0.0 109.203 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.78 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.264 0.625 . . . . 0.0 110.635 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.66 68.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.626 0.77 . . . . 0.0 110.796 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.44 -49.92 74.69 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.397 0.679 . . . . 0.0 110.853 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.55 -58.59 6.88 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.6 1.16 . . . . 0.0 109.917 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -53.12 -55.3 25.05 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 123.779 0.832 . . . . 0.0 111.664 -176.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -67.14 -39.06 86.49 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.817 0.735 . . . . 0.0 112.838 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -54.45 -41.98 70.07 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.992 0.517 . . . . 0.0 111.241 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 169.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -139.86 162.78 34.34 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.553 1.141 . . . . 0.0 109.773 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.72 -42.36 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.907 0.883 . . . . 0.0 109.697 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.96 90.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.874 0.869 . . . . 0.0 111.423 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.01 87.47 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.936 0.494 . . . . 0.0 111.502 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.52 -50.93 69.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.882 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -52.62 -50.74 62.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.174 1.39 . . . . 0.0 110.424 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -56.91 -42.16 79.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.624 0.77 . . . . 0.0 111.45 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -48.73 47.37 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.458 1.103 . . . . 0.0 111.007 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 109.885 177.042 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -155.67 173.5 16.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 125.177 1.391 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.61 -38.94 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.266 0.627 . . . . 0.0 110.748 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.09 86.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.7 0.8 . . . . 0.0 110.541 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.34 -52.11 64.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.082 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.71 -43.91 95.2 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.523 -174.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt85 -67.9 -46.29 72.03 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.125 0.42 . . . . 0.0 110.748 -177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -67.08 -39.65 86.84 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.602 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.19 -47.06 87.56 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.107 0.563 . . . . 0.0 110.551 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp . . . . . 0 CA--C 1.534 0.345 0 C-N-CA 124.432 1.093 . . . . 0.0 111.518 177.861 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -146.71 165.78 28.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.336 1.455 . . . . 0.0 108.544 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.38 -40.03 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 122.661 0.384 . . . . 0.0 110.485 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.31 69.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.86 0.864 . . . . 0.0 110.743 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.16 97.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.088 0.555 . . . . 0.0 111.468 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.95 -57.0 13.38 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.004 0.922 . . . . 0.0 109.45 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -48.16 -61.71 1.85 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 125.078 1.351 . . . . 0.0 110.671 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.22 -50.2 16.15 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.293 1.437 . . . . 0.0 111.641 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -63.33 -63.14 1.27 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.094 0.958 . . . . 0.0 111.993 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 118.681 0.673 . . . . 0.0 112.701 -169.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 120.836 0.35 . . . . 0.0 110.105 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -82.86 79.65 9.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.2 m -53.52 -40.94 65.84 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.842 0.857 . . . . 0.0 112.274 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.42 59.42 4.8 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 110.088 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -115.28 -33.13 5.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.335 1.454 . . . . 0.0 110.598 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -149.83 161.43 42.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.589 1.156 . . . . 0.0 109.059 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.62 -37.87 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.068 0.547 . . . . 0.0 110.816 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.77 -53.68 52.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.576 0.75 . . . . 0.0 110.473 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.7 79.08 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.222 0.609 . . . . 0.0 111.014 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.22 -55.09 35.29 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.691 1.197 . . . . 0.0 109.901 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -53.53 -60.76 2.9 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.177 0.991 . . . . 0.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -58.45 -39.85 81.02 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.838 0.29 . . . . 0.0 111.679 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.92 -52.61 63.38 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.636 0.774 . . . . 0.0 111.532 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -68.77 -31.76 71.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.205 0.457 . . . . 0.0 112.036 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -63.06 -51.14 67.84 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 171.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.33 -1.816 . . . . 0.0 109.413 179.493 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.981 -0.057 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -130.37 133.63 46.54 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.466 1.107 . . . . 0.0 108.383 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.9 m -81.84 75.04 8.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.177 0.991 . . . . 0.0 111.0 -173.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -136.24 52.92 1.95 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.088 0.955 . . . . 0.0 109.915 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -87.92 -43.47 11.75 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.193 0.997 . . . . 0.0 109.013 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -158.41 169.04 25.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 108.597 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.0 -35.3 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.92 0.488 . . . . 0.0 110.939 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.97 72.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.816 0.847 . . . . 0.0 110.744 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.73 84.43 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 122.978 0.511 . . . . 0.0 110.928 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.97 -56.01 21.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.947 1.299 . . . . 0.0 109.458 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -53.61 -52.41 59.93 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.05 1.34 . . . . 0.0 111.665 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.41 -52.11 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.411 0.684 . . . . 0.0 110.229 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 t -58.02 -49.34 77.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.152 1.381 . . . . 0.0 112.089 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -66.43 -32.16 73.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.093 0.406 . . . . 0.0 111.298 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -86.67 40.75 0.91 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.358 0.663 . . . . 0.0 110.987 170.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.02 -1.989 . . . . 0.0 111.463 177.125 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 120.463 0.173 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -75.8 86.13 2.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -81.28 50.06 1.37 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.011 0.925 . . . . 0.0 110.462 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -144.14 4.22 1.24 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.609 1.564 . . . . 0.0 110.958 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.33 -29.2 70.28 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.404 1.081 . . . . 0.0 111.684 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -154.18 162.95 40.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.01 0.924 . . . . 0.0 109.79 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -62.24 -35.26 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.406 0.682 . . . . 0.0 110.632 173.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.85 74.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.641 0.776 . . . . 0.0 110.554 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.91 52.59 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 122.851 0.461 . . . . 0.0 110.405 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.17 -59.09 4.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.841 1.256 . . . . 0.0 110.365 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -48.04 -64.0 0.91 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.515 1.526 . . . . 0.0 111.408 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -65.48 -40.01 92.6 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.476 0.31 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.05 -58.49 8.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.747 0.819 . . . . 0.0 111.401 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -68.51 -54.28 17.83 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -88.52 57.3 4.15 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.355 -1.803 . . . . 0.0 109.559 -177.191 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -71.06 177.44 3.75 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.025 0.93 . . . . 0.0 112.487 -173.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.89 -21.36 65.95 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.16 51.42 2.14 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.903 0.774 . . . . 0.0 110.745 -169.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.83 -32.31 35.19 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.488 1.115 . . . . 0.0 110.534 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -152.52 166.61 31.48 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.877 1.271 . . . . 0.0 109.174 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -62.65 -39.47 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.04 0.536 . . . . 0.0 110.603 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.98 73.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.495 0.718 . . . . 0.0 110.682 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.01 87.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.357 0.663 . . . . 0.0 111.088 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.81 -54.24 37.09 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.752 1.221 . . . . 0.0 110.429 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -59.84 -55.16 37.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.482 0.713 . . . . 0.0 111.209 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.24 -47.45 72.23 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.965 0.506 . . . . 0.0 110.928 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -60.67 -49.99 75.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.419 1.088 . . . . 0.0 111.813 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -69.32 -27.09 65.06 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.521 0.601 . . . . 0.0 111.881 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -80.75 10.25 5.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.49 0.716 . . . . 0.0 111.791 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 117.166 -1.908 . . . . 0.0 109.569 -174.534 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.669 -0.123 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -74.72 154.29 38.47 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.945 0.498 . . . . 0.0 110.253 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -59.52 -46.06 89.94 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.439 1.096 . . . . 0.0 111.413 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -89.59 67.92 7.59 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.663 0.785 . . . . 0.0 109.719 -173.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -128.68 -71.67 0.63 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.096 1.359 . . . . 0.0 108.452 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -102.85 158.3 16.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 109.835 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.28 -36.37 68.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.022 0.529 . . . . 0.0 110.545 173.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.66 80.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.906 0.883 . . . . 0.0 111.06 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.28 94.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.07 0.548 . . . . 0.0 110.915 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.19 -55.31 35.38 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.88 0.872 . . . . 0.0 109.66 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -51.57 -51.44 55.44 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.712 1.605 . . . . 0.0 111.587 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -56.43 -55.4 34.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.357 1.063 . . . . 0.0 109.827 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.9 t -59.78 -48.77 80.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.229 1.412 . . . . 0.0 112.527 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -65.43 -33.78 76.75 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.016 0.371 . . . . 0.0 111.85 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -68.02 -51.83 42.52 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 170.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.32 -1.822 . . . . 0.0 109.432 179.57 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.462 0.172 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -153.96 159.15 41.56 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.06 0.944 . . . . 0.0 109.243 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.0 m -63.43 -51.0 67.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.587 0.755 . . . . 0.0 109.927 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -88.88 80.19 7.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -146.42 -51.67 0.23 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.746 1.618 . . . . 0.0 109.2 -173.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -131.95 162.26 31.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.091 1.357 . . . . 0.0 108.974 173.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -61.01 -39.69 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 122.889 0.476 . . . . 0.0 110.747 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.72 -55.48 33.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.45 0.7 . . . . 0.0 110.353 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.56 79.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.19 0.596 . . . . 0.0 111.022 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.84 -59.73 4.33 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 125.082 1.353 . . . . 0.0 110.498 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.43 0.692 . . . . 0.0 111.033 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -59.65 -40.09 86.57 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.722 0.409 . . . . 0.0 111.614 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.37 -56.17 20.92 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.317 0.647 . . . . 0.0 111.523 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ptp -68.28 -42.38 79.62 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.213 0.461 . . . . 0.0 111.427 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -93.82 55.65 2.18 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.796 0.839 . . . . 0.0 109.393 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 CA-C-O 117.386 -1.786 . . . . 0.0 109.655 -178.765 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.371 0.129 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -77.23 76.36 3.78 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.527 0.731 . . . . 0.0 109.303 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -90.05 -21.92 22.1 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.434 1.094 . . . . 0.0 111.805 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -89.12 57.2 3.98 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.707 0.803 . . . . 0.0 109.754 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -95.62 -42.87 8.19 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.339 1.456 . . . . 0.0 108.954 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -151.55 166.25 31.75 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.119 1.368 . . . . 0.0 108.671 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -59.39 -37.52 69.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.974 0.51 . . . . 0.0 110.497 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.37 -53.53 51.07 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.831 0.852 . . . . 0.0 110.617 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.08 85.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.769 0.428 . . . . 0.0 111.295 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.48 -47.78 84.11 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.469 0.707 . . . . 0.0 110.304 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -55.55 -49.0 73.83 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.702 1.201 . . . . 0.0 111.443 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.72 -47.91 83.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.949 0.499 . . . . 0.0 110.721 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.9 t -60.34 -50.77 72.28 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.225 1.01 . . . . 0.0 112.083 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.0 ptm -66.24 -41.05 90.56 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.204 0.457 . . . . 0.0 111.096 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -96.73 49.56 1.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.451 0.701 . . . . 0.0 109.97 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.134 0 CA-C-O 116.992 -2.005 . . . . 0.0 109.882 -178.603 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.222 0.082 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -80.72 48.57 1.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.621 1.168 . . . . 0.0 111.849 -176.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.6 m -84.5 68.42 10.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.737 1.215 . . . . 0.0 110.204 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -133.93 39.5 3.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.438 0.695 . . . . 0.0 110.67 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -89.49 -31.25 17.75 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.171 0.988 . . . . 0.0 110.863 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -157.61 165.18 36.2 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.297 1.039 . . . . 0.0 109.658 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.46 -37.53 79.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.334 0.653 . . . . 0.0 110.689 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.57 62.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.538 0.735 . . . . 0.0 110.516 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.48 65.32 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.672 0.389 . . . . 0.0 110.664 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -52.41 -58.58 6.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.464 1.105 . . . . 0.0 110.892 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -53.81 -61.05 2.55 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 124.016 0.926 . . . . 0.0 111.588 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -58.61 -39.68 81.12 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.008 0.523 . . . . 0.0 111.628 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -61.81 -48.74 79.23 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 111.991 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 ptp -67.99 -33.77 75.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.851 0.751 . . . . 0.0 111.894 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -65.67 -41.58 92.3 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 117.987 0.358 . . . . 0.0 110.255 174.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.2 0 CA-C-O 117.015 -1.992 . . . . 0.0 110.024 -179.728 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -81.02 69.24 7.58 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.293 1.037 . . . . 0.0 109.654 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -69.4 -49.01 59.28 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.526 0.73 . . . . 0.0 110.671 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -89.95 58.1 4.06 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.515 0.726 . . . . 0.0 110.618 -170.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -119.06 -30.92 4.87 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.255 1.422 . . . . 0.0 111.1 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -152.63 163.7 39.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.234 1.014 . . . . 0.0 109.689 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.28 -38.16 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.656 0.782 . . . . 0.0 110.738 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -52.18 60.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 110.535 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -47.88 82.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.865 0.466 . . . . 0.0 111.067 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.4 tp -53.82 -54.85 32.58 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.772 1.229 . . . . 0.0 110.566 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -53.28 -55.43 24.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.431 1.492 . . . . 0.0 111.305 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -59.2 -43.84 92.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.831 0.452 . . . . 0.0 110.951 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.3 t -63.47 -44.42 94.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.065 0.946 . . . . 0.0 112.38 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.6 ptp -65.98 -32.76 74.43 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.581 0.628 . . . . 0.0 111.663 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -79.19 169.06 18.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.101 0.56 . . . . 0.0 110.566 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.254 -1.859 . . . . 0.0 110.067 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -117.39 176.04 5.34 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.021 1.329 . . . . 0.0 110.411 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.6 m -58.41 -40.08 81.48 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.471 0.708 . . . . 0.0 112.068 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -89.54 20.67 3.81 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.236 0.614 . . . . 0.0 112.101 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -71.05 -30.53 66.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.734 0.697 . . . . 0.0 110.863 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -151.34 165.47 33.97 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.044 0.938 . . . . 0.0 109.935 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.99 -35.48 73.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.441 0.696 . . . . 0.0 110.833 174.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.52 74.01 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.704 0.802 . . . . 0.0 110.449 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.52 90.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.022 0.529 . . . . 0.0 110.85 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.94 -44.4 92.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.978 0.511 . . . . 0.0 110.785 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.01 -47.8 81.96 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.702 1.201 . . . . 0.0 110.982 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.72 -50.4 73.64 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.12 -48.01 79.71 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.799 1.24 . . . . 0.0 112.32 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ptp -63.2 -33.64 75.92 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.177 0.444 . . . . 0.0 112.005 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -71.99 -50.68 26.66 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.782 0.433 . . . . 0.0 109.854 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 CA-C-O 117.23 -1.872 . . . . 0.0 108.95 -177.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -63.41 123.56 19.04 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 170.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.5 m -62.94 -45.13 93.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.845 0.858 . . . . 0.0 110.63 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -89.87 63.92 6.2 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 123.619 0.768 . . . . 0.0 109.642 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -124.79 -47.51 1.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.226 1.81 . . . . 0.0 109.349 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -148.93 168.23 23.63 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.943 1.297 . . . . 0.0 109.276 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.0 -34.44 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.254 0.622 . . . . 0.0 110.874 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.66 67.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.764 0.826 . . . . 0.0 110.433 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.72 68.49 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.743 0.417 . . . . 0.0 110.915 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.73 -50.46 73.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.672 1.189 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -52.53 -55.87 19.18 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.981 1.313 . . . . 0.0 111.529 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.67 -42.13 82.61 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.905 0.482 . . . . 0.0 111.353 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.15 -45.4 87.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.911 0.885 . . . . 0.0 111.234 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.8 ttp -61.45 -48.86 79.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.623 1.169 . . . . 0.0 110.019 175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -84.05 52.61 2.35 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.73 0.812 . . . . 0.0 110.548 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.145 -1.919 . . . . 0.0 111.087 179.127 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.672 0.273 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -81.96 60.36 4.77 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.153 0.981 . . . . 0.0 109.97 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m -83.97 57.98 4.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.285 1.034 . . . . 0.0 110.319 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -132.77 39.05 3.36 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.769 0.828 . . . . 0.0 109.684 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.72 -39.31 20.28 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.425 1.09 . . . . 0.0 109.394 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -154.98 165.14 37.67 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.118 1.367 . . . . 0.0 108.903 174.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -58.88 -42.06 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.12 87.41 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.736 0.814 . . . . 0.0 111.148 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.34 94.65 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.926 0.491 . . . . 0.0 111.182 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.33 -52.18 66.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.792 0.837 . . . . 0.0 110.244 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -54.67 -50.79 67.36 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.809 0.843 . . . . 0.0 111.392 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -55.34 34.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.105 0.562 . . . . 0.0 109.527 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.1 t -57.81 -51.55 69.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.406 1.482 . . . . 0.0 112.211 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 ptm -63.04 -38.23 90.34 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.138 0.426 . . . . 0.0 111.094 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -94.8 49.25 1.23 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.547 0.739 . . . . 0.0 110.307 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 117.206 -1.885 . . . . 0.0 111.423 176.822 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.68 0.276 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -157.19 141.99 16.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.741 1.217 . . . . 0.0 108.094 -178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -60.38 -45.74 92.46 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.314 0.646 . . . . 0.0 109.321 171.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -89.38 47.54 1.5 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.159 0.584 . . . . 0.0 110.662 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -87.0 -43.88 12.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.629 1.172 . . . . 0.0 108.99 169.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -154.96 171.44 19.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.214 1.406 . . . . 0.0 108.966 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -61.61 -39.89 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 122.853 0.461 . . . . 0.0 110.503 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.39 75.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.686 0.794 . . . . 0.0 110.708 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.32 97.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.107 0.563 . . . . 0.0 111.086 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.39 -51.81 66.09 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.528 0.731 . . . . 0.0 109.718 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -54.41 -50.97 66.34 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.705 0.802 . . . . 0.0 111.072 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -57.82 -51.98 67.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.112 0.565 . . . . 0.0 110.792 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -56.83 -48.19 78.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.682 1.193 . . . . 0.0 111.628 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 ttt -58.34 -50.08 74.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.637 1.575 . . . . 0.0 110.877 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -70.44 -37.63 74.4 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.434 0.694 . . . . 0.0 110.885 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.337 -1.813 . . . . 0.0 109.555 179.226 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.425 0.155 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -79.37 156.23 28.05 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.62 0.768 . . . . 0.0 110.224 -174.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.4 m -80.07 63.97 4.75 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.175 0.99 . . . . 0.0 111.013 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -136.89 25.6 3.04 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.067 0.947 . . . . 0.0 111.071 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.33 -32.38 66.46 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.186 0.595 . . . . 0.0 111.06 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -156.73 164.94 37.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.283 1.033 . . . . 0.0 109.609 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.78 -34.93 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.457 0.703 . . . . 0.0 110.924 174.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -48.84 68.48 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.763 0.825 . . . . 0.0 110.407 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.46 -50.29 74.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 110.505 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.24 -52.64 58.32 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.996 0.919 . . . . 0.0 110.618 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -54.99 -53.64 53.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.74 1.216 . . . . 0.0 111.775 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -71.64 -40.15 69.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.339 0.656 . . . . 0.0 111.854 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.43 -43.3 96.9 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.255 0.622 . . . . 0.0 110.85 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.8 ttp -69.8 -60.76 2.11 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.791 1.236 . . . . 0.0 111.051 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -82.18 -66.89 0.83 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.901 0.48 . . . . 0.0 110.872 -174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 CA-C-O 116.955 -2.025 . . . . 0.0 109.529 -176.911 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.315 0.117 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -82.66 93.08 7.28 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -67.07 -43.27 83.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.333 1.053 . . . . 0.0 111.093 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -89.72 88.53 7.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.913 0.885 . . . . 0.0 110.43 -171.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -150.18 -38.52 0.14 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.041 1.337 . . . . 0.0 110.74 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -146.88 163.46 36.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.536 1.135 . . . . 0.0 109.542 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.06 -45.64 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 123.701 0.8 . . . . 0.0 109.283 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.4 81.77 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.587 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.19 82.55 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.933 0.493 . . . . 0.0 111.123 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.6 -52.97 63.27 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.271 1.028 . . . . 0.0 109.621 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -54.22 -51.01 65.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.47 1.508 . . . . 0.0 111.572 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.37 -44.26 97.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.113 0.565 . . . . 0.0 110.437 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.33 -51.21 69.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.481 0.712 . . . . 0.0 112.249 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.3 ptm -66.99 -34.43 77.73 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.132 0.424 . . . . 0.0 111.61 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -64.47 -48.18 76.23 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.421 -1.766 . . . . 0.0 109.261 -179.451 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -69.24 148.01 50.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.473 0.709 . . . . 0.0 110.283 172.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.5 m -83.18 58.46 4.46 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.545 0.738 . . . . 0.0 111.252 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -142.87 50.17 1.45 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.545 1.138 . . . . 0.0 109.065 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -88.7 -43.11 11.55 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.41 1.084 . . . . 0.0 109.382 173.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -153.43 165.04 37.05 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.115 1.366 . . . . 0.0 108.604 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.28 -36.02 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 122.95 0.5 . . . . 0.0 110.482 172.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.25 12.75 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.229 0.612 . . . . 0.0 110.118 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.2 -43.5 78.57 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 111.498 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.9 -54.99 26.65 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.536 1.134 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -56.32 -51.63 67.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.601 0.76 . . . . 0.0 112.194 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.73 -52.75 62.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 119.0 0.818 . . . . 0.0 110.928 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.4 t -58.09 -44.66 87.72 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.317 1.047 . . . . 0.0 111.639 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.4 ttp -61.62 -45.26 94.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.473 1.109 . . . . 0.0 110.456 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -85.83 46.53 1.33 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.025 0.93 . . . . 0.0 110.458 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.15 0 CA-C-O 117.159 -1.912 . . . . 0.0 110.849 -178.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 111.209 0.077 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -81.91 65.4 7.03 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.843 0.857 . . . . 0.0 109.388 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.95 -31.31 72.45 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.042 0.937 . . . . 0.0 112.331 -176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -89.02 60.36 5.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.748 0.819 . . . . 0.0 109.143 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -118.28 -33.94 4.23 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.13 1.772 . . . . 0.0 110.586 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -150.4 162.22 40.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.538 1.135 . . . . 0.0 109.203 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.78 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.264 0.625 . . . . 0.0 110.635 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.66 68.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.626 0.77 . . . . 0.0 110.796 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.44 -49.92 74.69 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.397 0.679 . . . . 0.0 110.853 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.55 -58.59 6.88 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.6 1.16 . . . . 0.0 109.917 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -53.12 -55.3 25.05 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 123.779 0.832 . . . . 0.0 111.664 -176.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -67.14 -39.06 86.49 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.817 0.735 . . . . 0.0 112.838 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -54.45 -41.98 70.07 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.992 0.517 . . . . 0.0 111.241 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 mmt -65.81 -57.36 8.14 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 169.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -89.82 62.82 5.86 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.157 1.383 . . . . 0.0 109.448 -170.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.236 -1.869 . . . . 0.0 110.664 -178.041 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.916 0.388 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -78.45 61.22 2.8 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.427 1.091 . . . . 0.0 110.441 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -59.15 -50.53 73.7 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.389 1.076 . . . . 0.0 111.345 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -89.46 60.38 5.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.456 0.702 . . . . 0.0 109.406 -172.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.86 -45.26 1.29 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.197 1.799 . . . . 0.0 109.265 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -139.86 162.78 34.34 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.553 1.141 . . . . 0.0 109.773 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.72 -42.36 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.907 0.883 . . . . 0.0 109.697 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.96 90.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.874 0.869 . . . . 0.0 111.423 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.01 87.47 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.936 0.494 . . . . 0.0 111.502 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.52 -50.93 69.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.882 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -52.62 -50.74 62.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.174 1.39 . . . . 0.0 110.424 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -56.91 -42.16 79.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.624 0.77 . . . . 0.0 111.45 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -48.73 47.37 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.458 1.103 . . . . 0.0 111.007 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtt -67.17 -55.66 13.18 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 109.885 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -100.26 68.39 1.42 Allowed 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.901 0.88 . . . . 0.0 110.628 -169.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.175 -1.903 . . . . 0.0 111.328 174.633 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.444 0.164 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -70.91 150.98 45.19 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.304 0.642 . . . . 0.0 109.64 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.7 m -79.17 68.35 5.12 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.289 1.035 . . . . 0.0 111.429 -173.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -144.25 51.52 1.29 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.372 1.069 . . . . 0.0 109.657 173.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -82.92 -44.21 15.61 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.475 1.11 . . . . 0.0 109.203 172.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -155.67 173.5 16.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 125.177 1.391 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.61 -38.94 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.266 0.627 . . . . 0.0 110.748 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.09 86.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.7 0.8 . . . . 0.0 110.541 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.34 -52.11 64.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.082 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.71 -43.91 95.2 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.523 -174.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt85 -67.9 -46.29 72.03 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.125 0.42 . . . . 0.0 110.748 -177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -67.08 -39.65 86.84 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.602 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.19 -47.06 87.56 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.107 0.563 . . . . 0.0 110.551 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -58.74 -48.97 79.34 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.432 1.093 . . . . 0.0 111.518 177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -71.61 -35.23 70.41 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.257 0.623 . . . . 0.0 112.015 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.199 0 CA-C-O 117.142 -1.921 . . . . 0.0 109.331 -171.617 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -148.68 158.22 43.99 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.84 0.856 . . . . 0.0 109.718 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.63 -50.08 68.55 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.977 0.911 . . . . 0.0 109.656 173.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -89.06 70.3 8.45 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -127.39 -47.2 1.45 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.597 1.959 . . . . 0.0 108.975 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -146.71 165.78 28.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.336 1.455 . . . . 0.0 108.544 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.38 -40.03 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 122.661 0.384 . . . . 0.0 110.485 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.31 69.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.86 0.864 . . . . 0.0 110.743 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.16 97.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.088 0.555 . . . . 0.0 111.468 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.95 -57.0 13.38 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.004 0.922 . . . . 0.0 109.45 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -48.16 -61.71 1.85 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 125.078 1.351 . . . . 0.0 110.671 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.22 -50.2 16.15 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.293 1.437 . . . . 0.0 111.641 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -63.33 -63.14 1.27 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.094 0.958 . . . . 0.0 111.993 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.07 64.11 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.681 0.673 . . . . 0.0 112.701 -169.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -67.5 -45.34 76.11 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.192 0.451 . . . . 0.0 109.906 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.078 -1.957 . . . . 0.0 110.044 -179.118 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -149.83 161.43 42.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.589 1.156 . . . . 0.0 109.059 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.62 -37.87 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.068 0.547 . . . . 0.0 110.816 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.77 -53.68 52.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.576 0.75 . . . . 0.0 110.473 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.7 79.08 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.222 0.609 . . . . 0.0 111.014 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.22 -55.09 35.29 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.691 1.197 . . . . 0.0 109.901 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -53.53 -60.76 2.9 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.177 0.991 . . . . 0.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -58.45 -39.85 81.02 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.838 0.29 . . . . 0.0 111.679 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.92 -52.61 63.38 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.636 0.774 . . . . 0.0 111.532 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? . . . . . 0 CA--C 1.533 0.289 0 CA-C-N 118.205 0.457 . . . . 0.0 112.036 -176.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -158.41 169.04 25.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 108.597 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.0 -35.3 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.92 0.488 . . . . 0.0 110.939 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.97 72.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.816 0.847 . . . . 0.0 110.744 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.73 84.43 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 122.978 0.511 . . . . 0.0 110.928 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.97 -56.01 21.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.947 1.299 . . . . 0.0 109.458 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -53.61 -52.41 59.93 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.05 1.34 . . . . 0.0 111.665 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.41 -52.11 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.411 0.684 . . . . 0.0 110.229 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 t -58.02 -49.34 77.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.152 1.381 . . . . 0.0 112.089 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 ptt? . . . . . 0 CA--C 1.532 0.27 0 CA-C-N 118.093 0.406 . . . . 0.0 111.298 -179.015 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -154.18 162.95 40.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.01 0.924 . . . . 0.0 109.79 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -62.24 -35.26 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.406 0.682 . . . . 0.0 110.632 173.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.85 74.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.641 0.776 . . . . 0.0 110.554 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.91 52.59 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 122.851 0.461 . . . . 0.0 110.405 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.17 -59.09 4.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.841 1.256 . . . . 0.0 110.365 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -48.04 -64.0 0.91 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.515 1.526 . . . . 0.0 111.408 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -65.48 -40.01 92.6 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.476 0.31 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.05 -58.49 8.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.747 0.819 . . . . 0.0 111.401 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.596 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -152.52 166.61 31.48 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.877 1.271 . . . . 0.0 109.174 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -62.65 -39.47 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.04 0.536 . . . . 0.0 110.603 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.98 73.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.495 0.718 . . . . 0.0 110.682 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.01 87.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.357 0.663 . . . . 0.0 111.088 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.81 -54.24 37.09 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.752 1.221 . . . . 0.0 110.429 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -59.84 -55.16 37.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.482 0.713 . . . . 0.0 111.209 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.24 -47.45 72.23 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.965 0.506 . . . . 0.0 110.928 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -60.67 -49.99 75.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.419 1.088 . . . . 0.0 111.813 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 118.521 0.601 . . . . 0.0 111.881 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -102.85 158.3 16.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 109.835 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.28 -36.37 68.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.022 0.529 . . . . 0.0 110.545 173.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.66 80.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.906 0.883 . . . . 0.0 111.06 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.28 94.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.07 0.548 . . . . 0.0 110.915 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.19 -55.31 35.38 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.88 0.872 . . . . 0.0 109.66 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -51.57 -51.44 55.44 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.712 1.605 . . . . 0.0 111.587 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -56.43 -55.4 34.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.357 1.063 . . . . 0.0 109.827 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.9 t -59.78 -48.77 80.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.229 1.412 . . . . 0.0 112.527 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.0 ptt? . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 118.016 0.371 . . . . 0.0 111.85 -175.822 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -131.95 162.26 31.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.091 1.357 . . . . 0.0 108.974 173.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -61.01 -39.69 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 122.889 0.476 . . . . 0.0 110.747 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.72 -55.48 33.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.45 0.7 . . . . 0.0 110.353 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.56 79.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.19 0.596 . . . . 0.0 111.022 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.84 -59.73 4.33 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 125.082 1.353 . . . . 0.0 110.498 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.43 0.692 . . . . 0.0 111.033 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -59.65 -40.09 86.57 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.722 0.409 . . . . 0.0 111.614 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.37 -56.17 20.92 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.317 0.647 . . . . 0.0 111.523 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ptp . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 118.213 0.461 . . . . 0.0 111.427 -177.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -151.55 166.25 31.75 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.119 1.368 . . . . 0.0 108.671 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -59.39 -37.52 69.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.974 0.51 . . . . 0.0 110.497 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.37 -53.53 51.07 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.831 0.852 . . . . 0.0 110.617 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.08 85.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.769 0.428 . . . . 0.0 111.295 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.48 -47.78 84.11 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.469 0.707 . . . . 0.0 110.304 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -55.55 -49.0 73.83 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.702 1.201 . . . . 0.0 111.443 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.72 -47.91 83.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.949 0.499 . . . . 0.0 110.721 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.9 t -60.34 -50.77 72.28 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.225 1.01 . . . . 0.0 112.083 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 CA--C 1.533 0.299 0 CA-C-N 118.204 0.457 . . . . 0.0 111.096 -178.661 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 119.847 -0.12 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -157.61 165.18 36.2 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.297 1.039 . . . . 0.0 109.658 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.46 -37.53 79.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.334 0.653 . . . . 0.0 110.689 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.57 62.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.538 0.735 . . . . 0.0 110.516 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.48 65.32 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.672 0.389 . . . . 0.0 110.664 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -52.41 -58.58 6.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.464 1.105 . . . . 0.0 110.892 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -53.81 -61.05 2.55 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 124.016 0.926 . . . . 0.0 111.588 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -58.61 -39.68 81.12 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.008 0.523 . . . . 0.0 111.628 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -61.81 -48.74 79.23 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 111.991 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 ptp . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 118.851 0.751 . . . . 0.0 111.894 179.452 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -152.63 163.7 39.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.234 1.014 . . . . 0.0 109.689 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.28 -38.16 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.656 0.782 . . . . 0.0 110.738 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -52.18 60.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 110.535 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -47.88 82.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.865 0.466 . . . . 0.0 111.067 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.4 tp -53.82 -54.85 32.58 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.772 1.229 . . . . 0.0 110.566 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -53.28 -55.43 24.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.431 1.492 . . . . 0.0 111.305 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -59.2 -43.84 92.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.831 0.452 . . . . 0.0 110.951 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.3 t -63.47 -44.42 94.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.065 0.946 . . . . 0.0 112.38 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.6 ptp . . . . . 0 CA--C 1.532 0.288 0 CA-C-N 118.581 0.628 . . . . 0.0 111.663 177.469 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 119.779 -0.153 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -151.34 165.47 33.97 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.044 0.938 . . . . 0.0 109.935 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.99 -35.48 73.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.441 0.696 . . . . 0.0 110.833 174.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.52 74.01 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.704 0.802 . . . . 0.0 110.449 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.52 90.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.022 0.529 . . . . 0.0 110.85 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.94 -44.4 92.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.978 0.511 . . . . 0.0 110.785 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.01 -47.8 81.96 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.702 1.201 . . . . 0.0 110.982 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.72 -50.4 73.64 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.12 -48.01 79.71 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.799 1.24 . . . . 0.0 112.32 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 CA--C 1.534 0.335 0 CA-C-N 118.177 0.444 . . . . 0.0 112.005 -178.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -148.93 168.23 23.63 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.943 1.297 . . . . 0.0 109.276 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.0 -34.44 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.254 0.622 . . . . 0.0 110.874 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.66 67.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.764 0.826 . . . . 0.0 110.433 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.72 68.49 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.743 0.417 . . . . 0.0 110.915 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.73 -50.46 73.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.672 1.189 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -52.53 -55.87 19.18 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.981 1.313 . . . . 0.0 111.529 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.67 -42.13 82.61 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.905 0.482 . . . . 0.0 111.353 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.15 -45.4 87.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.911 0.885 . . . . 0.0 111.234 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.448 -0.539 0 C-N-CA 124.623 1.169 . . . . 0.0 110.019 175.367 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -154.98 165.14 37.67 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.118 1.367 . . . . 0.0 108.903 174.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -58.88 -42.06 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.12 87.41 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.736 0.814 . . . . 0.0 111.148 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.34 94.65 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.926 0.491 . . . . 0.0 111.182 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.33 -52.18 66.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.792 0.837 . . . . 0.0 110.244 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -54.67 -50.79 67.36 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.809 0.843 . . . . 0.0 111.392 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -55.34 34.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.105 0.562 . . . . 0.0 109.527 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.1 t -57.81 -51.55 69.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.406 1.482 . . . . 0.0 112.211 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 CA--C 1.532 0.274 0 CA-C-N 118.138 0.426 . . . . 0.0 111.094 -179.324 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -154.96 171.44 19.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.214 1.406 . . . . 0.0 108.966 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -61.61 -39.89 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 122.853 0.461 . . . . 0.0 110.503 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.39 75.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.686 0.794 . . . . 0.0 110.708 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.32 97.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.107 0.563 . . . . 0.0 111.086 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.39 -51.81 66.09 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.528 0.731 . . . . 0.0 109.718 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -54.41 -50.97 66.34 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.705 0.802 . . . . 0.0 111.072 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -57.82 -51.98 67.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.112 0.565 . . . . 0.0 110.792 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -56.83 -48.19 78.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.682 1.193 . . . . 0.0 111.628 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.45 -0.473 0 C-N-CA 125.637 1.575 . . . . 0.0 110.877 -179.481 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 119.854 -0.117 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -156.73 164.94 37.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.283 1.033 . . . . 0.0 109.609 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.78 -34.93 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.457 0.703 . . . . 0.0 110.924 174.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -48.84 68.48 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.763 0.825 . . . . 0.0 110.407 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.46 -50.29 74.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 110.505 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.24 -52.64 58.32 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.996 0.919 . . . . 0.0 110.618 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -54.99 -53.64 53.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.74 1.216 . . . . 0.0 111.775 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -71.64 -40.15 69.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.339 0.656 . . . . 0.0 111.854 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.43 -43.3 96.9 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.255 0.622 . . . . 0.0 110.85 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.8 ttp . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 124.791 1.236 . . . . 0.0 111.051 -179.288 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 CA--C 1.531 0.218 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -146.88 163.46 36.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.536 1.135 . . . . 0.0 109.542 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.06 -45.64 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 123.701 0.8 . . . . 0.0 109.283 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.4 81.77 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.587 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.19 82.55 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.933 0.493 . . . . 0.0 111.123 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.6 -52.97 63.27 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.271 1.028 . . . . 0.0 109.621 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -54.22 -51.01 65.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.47 1.508 . . . . 0.0 111.572 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.37 -44.26 97.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.113 0.565 . . . . 0.0 110.437 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.33 -51.21 69.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.481 0.712 . . . . 0.0 112.249 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 CA--C 1.532 0.27 0 CA-C-N 118.132 0.424 . . . . 0.0 111.61 -176.679 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 . . . . . 0 N--CA 1.455 -0.177 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -153.43 165.04 37.05 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.115 1.366 . . . . 0.0 108.604 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.28 -36.02 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 122.95 0.5 . . . . 0.0 110.482 172.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.25 12.75 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.229 0.612 . . . . 0.0 110.118 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.2 -43.5 78.57 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 111.498 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.9 -54.99 26.65 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.536 1.134 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -56.32 -51.63 67.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.601 0.76 . . . . 0.0 112.194 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.73 -52.75 62.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 119.0 0.818 . . . . 0.0 110.928 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.4 t -58.09 -44.66 87.72 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.317 1.047 . . . . 0.0 111.639 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.4 ttp . . . . . 0 N--CA 1.45 -0.473 0 C-N-CA 124.473 1.109 . . . . 0.0 110.456 177.275 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 110.586 -0.153 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -150.4 162.22 40.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.538 1.135 . . . . 0.0 109.203 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.78 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.264 0.625 . . . . 0.0 110.635 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.66 68.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.626 0.77 . . . . 0.0 110.796 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.44 -49.92 74.69 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.397 0.679 . . . . 0.0 110.853 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.55 -58.59 6.88 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.6 1.16 . . . . 0.0 109.917 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -53.12 -55.3 25.05 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 123.779 0.832 . . . . 0.0 111.664 -176.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -67.14 -39.06 86.49 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.817 0.735 . . . . 0.0 112.838 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -54.45 -41.98 70.07 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.992 0.517 . . . . 0.0 111.241 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 mmt . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 169.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -139.86 162.78 34.34 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.553 1.141 . . . . 0.0 109.773 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.72 -42.36 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.907 0.883 . . . . 0.0 109.697 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.96 90.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.874 0.869 . . . . 0.0 111.423 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.01 87.47 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.936 0.494 . . . . 0.0 111.502 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.52 -50.93 69.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.882 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -52.62 -50.74 62.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.174 1.39 . . . . 0.0 110.424 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -56.91 -42.16 79.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.624 0.77 . . . . 0.0 111.45 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -48.73 47.37 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.458 1.103 . . . . 0.0 111.007 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 109.885 177.042 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -155.67 173.5 16.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 125.177 1.391 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.61 -38.94 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.266 0.627 . . . . 0.0 110.748 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.09 86.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.7 0.8 . . . . 0.0 110.541 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.34 -52.11 64.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.082 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.71 -43.91 95.2 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.523 -174.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt85 -67.9 -46.29 72.03 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.125 0.42 . . . . 0.0 110.748 -177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -67.08 -39.65 86.84 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.602 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.19 -47.06 87.56 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.107 0.563 . . . . 0.0 110.551 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp . . . . . 0 CA--C 1.534 0.345 0 C-N-CA 124.432 1.093 . . . . 0.0 111.518 177.861 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -146.71 165.78 28.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.336 1.455 . . . . 0.0 108.544 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.38 -40.03 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 122.661 0.384 . . . . 0.0 110.485 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.31 69.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.86 0.864 . . . . 0.0 110.743 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.16 97.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.088 0.555 . . . . 0.0 111.468 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.95 -57.0 13.38 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.004 0.922 . . . . 0.0 109.45 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -48.16 -61.71 1.85 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 125.078 1.351 . . . . 0.0 110.671 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.22 -50.2 16.15 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.293 1.437 . . . . 0.0 111.641 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -63.33 -63.14 1.27 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.094 0.958 . . . . 0.0 111.993 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 CA-C-N 118.681 0.673 . . . . 0.0 112.701 -169.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 120.836 0.35 . . . . 0.0 110.105 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -82.86 79.65 9.17 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.2 m -53.52 -40.94 65.84 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.842 0.857 . . . . 0.0 112.274 -173.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.42 59.42 4.8 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.509 0.724 . . . . 0.0 110.088 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -115.28 -33.13 5.42 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.335 1.454 . . . . 0.0 110.598 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -149.83 161.43 42.28 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.589 1.156 . . . . 0.0 109.059 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.62 -37.87 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.068 0.547 . . . . 0.0 110.816 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.77 -53.68 52.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.576 0.75 . . . . 0.0 110.473 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.7 79.08 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.222 0.609 . . . . 0.0 111.014 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.22 -55.09 35.29 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.691 1.197 . . . . 0.0 109.901 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -53.53 -60.76 2.9 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.177 0.991 . . . . 0.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -58.45 -39.85 81.02 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 117.838 0.29 . . . . 0.0 111.679 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.92 -52.61 63.38 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.636 0.774 . . . . 0.0 111.532 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -68.77 -31.76 71.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.205 0.457 . . . . 0.0 112.036 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -63.06 -51.14 67.84 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 171.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.33 -1.816 . . . . 0.0 109.413 179.493 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.981 -0.057 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -130.37 133.63 46.54 Favored 'General case' 0 C--N 1.339 0.133 0 C-N-CA 124.466 1.107 . . . . 0.0 108.383 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.9 m -81.84 75.04 8.8 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.177 0.991 . . . . 0.0 111.0 -173.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -136.24 52.92 1.95 Allowed 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.088 0.955 . . . . 0.0 109.915 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -87.92 -43.47 11.75 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.193 0.997 . . . . 0.0 109.013 174.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -158.41 169.04 25.36 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.503 1.521 . . . . 0.0 108.597 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -61.0 -35.3 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 122.92 0.488 . . . . 0.0 110.939 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.97 72.93 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.816 0.847 . . . . 0.0 110.744 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.73 84.43 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 122.978 0.511 . . . . 0.0 110.928 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 tt -53.97 -56.01 21.82 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.947 1.299 . . . . 0.0 109.458 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -53.61 -52.41 59.93 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.05 1.34 . . . . 0.0 111.665 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.41 -52.11 66.61 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.411 0.684 . . . . 0.0 110.229 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 t -58.02 -49.34 77.19 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.152 1.381 . . . . 0.0 112.089 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -66.43 -32.16 73.36 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.093 0.406 . . . . 0.0 111.298 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -86.67 40.75 0.91 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.358 0.663 . . . . 0.0 110.987 170.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.02 -1.989 . . . . 0.0 111.463 177.125 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 120.463 0.173 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -75.8 86.13 2.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -81.28 50.06 1.37 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.011 0.925 . . . . 0.0 110.462 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -144.14 4.22 1.24 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.609 1.564 . . . . 0.0 110.958 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.33 -29.2 70.28 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.404 1.081 . . . . 0.0 111.684 175.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -154.18 162.95 40.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.01 0.924 . . . . 0.0 109.79 174.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -62.24 -35.26 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.406 0.682 . . . . 0.0 110.632 173.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -48.85 74.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.641 0.776 . . . . 0.0 110.554 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.88 -53.91 52.59 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 122.851 0.461 . . . . 0.0 110.405 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tt -50.17 -59.09 4.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.841 1.256 . . . . 0.0 110.365 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -48.04 -64.0 0.91 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.515 1.526 . . . . 0.0 111.408 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -65.48 -40.01 92.6 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.476 0.31 . . . . 0.0 111.806 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.05 -58.49 8.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.747 0.819 . . . . 0.0 111.401 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -68.51 -54.28 17.83 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -88.52 57.3 4.15 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.355 -1.803 . . . . 0.0 109.559 -177.191 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -71.06 177.44 3.75 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.025 0.93 . . . . 0.0 112.487 -173.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.89 -21.36 65.95 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.16 51.42 2.14 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.903 0.774 . . . . 0.0 110.745 -169.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.83 -32.31 35.19 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.488 1.115 . . . . 0.0 110.534 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -152.52 166.61 31.48 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.877 1.271 . . . . 0.0 109.174 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -62.65 -39.47 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.04 0.536 . . . . 0.0 110.603 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.98 73.67 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.495 0.718 . . . . 0.0 110.682 178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -47.01 87.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.357 0.663 . . . . 0.0 111.088 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.81 -54.24 37.09 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.752 1.221 . . . . 0.0 110.429 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -59.84 -55.16 37.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.482 0.713 . . . . 0.0 111.209 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.24 -47.45 72.23 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.965 0.506 . . . . 0.0 110.928 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -60.67 -49.99 75.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.419 1.088 . . . . 0.0 111.813 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -69.32 -27.09 65.06 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.521 0.601 . . . . 0.0 111.881 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -80.75 10.25 5.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.49 0.716 . . . . 0.0 111.791 169.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 117.166 -1.908 . . . . 0.0 109.569 -174.534 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 110.669 -0.123 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -74.72 154.29 38.47 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.945 0.498 . . . . 0.0 110.253 176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.9 m -59.52 -46.06 89.94 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.439 1.096 . . . . 0.0 111.413 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -89.59 67.92 7.59 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.663 0.785 . . . . 0.0 109.719 -173.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -128.68 -71.67 0.63 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.096 1.359 . . . . 0.0 108.452 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -102.85 158.3 16.37 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 109.835 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.28 -36.37 68.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.022 0.529 . . . . 0.0 110.545 173.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.66 80.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.906 0.883 . . . . 0.0 111.06 177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.28 94.07 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 123.07 0.548 . . . . 0.0 110.915 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.19 -55.31 35.38 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.88 0.872 . . . . 0.0 109.66 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -51.57 -51.44 55.44 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.712 1.605 . . . . 0.0 111.587 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -56.43 -55.4 34.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.357 1.063 . . . . 0.0 109.827 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.9 t -59.78 -48.77 80.35 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.229 1.412 . . . . 0.0 112.527 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -65.43 -33.78 76.75 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.016 0.371 . . . . 0.0 111.85 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -68.02 -51.83 42.52 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 170.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.32 -1.822 . . . . 0.0 109.432 179.57 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.462 0.172 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -153.96 159.15 41.56 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.06 0.944 . . . . 0.0 109.243 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.0 m -63.43 -51.0 67.56 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.587 0.755 . . . . 0.0 109.927 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -88.88 80.19 7.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -146.42 -51.67 0.23 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.746 1.618 . . . . 0.0 109.2 -173.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -131.95 162.26 31.12 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 125.091 1.357 . . . . 0.0 108.974 173.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -61.01 -39.69 83.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 122.889 0.476 . . . . 0.0 110.747 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.72 -55.48 33.76 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.45 0.7 . . . . 0.0 110.353 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.56 79.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.19 0.596 . . . . 0.0 111.022 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.84 -59.73 4.33 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 125.082 1.353 . . . . 0.0 110.498 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -61.62 -52.1 65.77 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.43 0.692 . . . . 0.0 111.033 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -59.65 -40.09 86.57 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.722 0.409 . . . . 0.0 111.614 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.37 -56.17 20.92 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.317 0.647 . . . . 0.0 111.523 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.8 ptp -68.28 -42.38 79.62 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.213 0.461 . . . . 0.0 111.427 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -93.82 55.65 2.18 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.796 0.839 . . . . 0.0 109.393 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.188 0 CA-C-O 117.386 -1.786 . . . . 0.0 109.655 -178.765 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.371 0.129 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -77.23 76.36 3.78 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.527 0.731 . . . . 0.0 109.303 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -90.05 -21.92 22.1 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.434 1.094 . . . . 0.0 111.805 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -89.12 57.2 3.98 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.707 0.803 . . . . 0.0 109.754 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -95.62 -42.87 8.19 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.339 1.456 . . . . 0.0 108.954 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -151.55 166.25 31.75 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.119 1.368 . . . . 0.0 108.671 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -59.39 -37.52 69.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 122.974 0.51 . . . . 0.0 110.497 173.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.37 -53.53 51.07 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.831 0.852 . . . . 0.0 110.617 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.08 85.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.769 0.428 . . . . 0.0 111.295 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.48 -47.78 84.11 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.469 0.707 . . . . 0.0 110.304 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -55.55 -49.0 73.83 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.702 1.201 . . . . 0.0 111.443 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -59.72 -47.91 83.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.949 0.499 . . . . 0.0 110.721 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.9 t -60.34 -50.77 72.28 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.225 1.01 . . . . 0.0 112.083 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.0 ptm -66.24 -41.05 90.56 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.204 0.457 . . . . 0.0 111.096 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -96.73 49.56 1.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.451 0.701 . . . . 0.0 109.97 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.134 0 CA-C-O 116.992 -2.005 . . . . 0.0 109.882 -178.603 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.222 0.082 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -80.72 48.57 1.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.621 1.168 . . . . 0.0 111.849 -176.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.6 m -84.5 68.42 10.29 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.737 1.215 . . . . 0.0 110.204 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -133.93 39.5 3.14 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.438 0.695 . . . . 0.0 110.67 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -89.49 -31.25 17.75 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.171 0.988 . . . . 0.0 110.863 174.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -157.61 165.18 36.2 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.297 1.039 . . . . 0.0 109.658 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.46 -37.53 79.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.334 0.653 . . . . 0.0 110.689 174.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.57 62.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.538 0.735 . . . . 0.0 110.516 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.66 -51.48 65.32 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 122.672 0.389 . . . . 0.0 110.664 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -52.41 -58.58 6.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.464 1.105 . . . . 0.0 110.892 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -53.81 -61.05 2.55 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 124.016 0.926 . . . . 0.0 111.588 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -58.61 -39.68 81.12 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.008 0.523 . . . . 0.0 111.628 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -61.81 -48.74 79.23 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.827 0.851 . . . . 0.0 111.991 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.4 ptp -67.99 -33.77 75.27 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.851 0.751 . . . . 0.0 111.894 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.4 m-30 -65.67 -41.58 92.3 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 117.987 0.358 . . . . 0.0 110.255 174.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.2 0 CA-C-O 117.015 -1.992 . . . . 0.0 110.024 -179.728 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -81.02 69.24 7.58 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 124.293 1.037 . . . . 0.0 109.654 -176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -69.4 -49.01 59.28 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.526 0.73 . . . . 0.0 110.671 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -89.95 58.1 4.06 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.515 0.726 . . . . 0.0 110.618 -170.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -119.06 -30.92 4.87 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.255 1.422 . . . . 0.0 111.1 176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -152.63 163.7 39.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.234 1.014 . . . . 0.0 109.689 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.28 -38.16 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 123.656 0.782 . . . . 0.0 110.738 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.94 -52.18 60.95 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 110.535 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -47.88 82.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.865 0.466 . . . . 0.0 111.067 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.4 tp -53.82 -54.85 32.58 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.772 1.229 . . . . 0.0 110.566 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -53.28 -55.43 24.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.431 1.492 . . . . 0.0 111.305 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -59.2 -43.84 92.23 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.831 0.452 . . . . 0.0 110.951 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.3 t -63.47 -44.42 94.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.065 0.946 . . . . 0.0 112.38 -175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.6 ptp -65.98 -32.76 74.43 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.581 0.628 . . . . 0.0 111.663 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -79.19 169.06 18.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.101 0.56 . . . . 0.0 110.566 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.254 -1.859 . . . . 0.0 110.067 179.816 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -117.39 176.04 5.34 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.021 1.329 . . . . 0.0 110.411 -177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.6 m -58.41 -40.08 81.48 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.471 0.708 . . . . 0.0 112.068 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -89.54 20.67 3.81 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.236 0.614 . . . . 0.0 112.101 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -71.05 -30.53 66.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.734 0.697 . . . . 0.0 110.863 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -151.34 165.47 33.97 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.044 0.938 . . . . 0.0 109.935 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.99 -35.48 73.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.441 0.696 . . . . 0.0 110.833 174.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.52 74.01 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.704 0.802 . . . . 0.0 110.449 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.52 90.62 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.022 0.529 . . . . 0.0 110.85 176.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.94 -44.4 92.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.978 0.511 . . . . 0.0 110.785 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -58.01 -47.8 81.96 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.702 1.201 . . . . 0.0 110.982 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.72 -50.4 73.64 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.12 -48.01 79.71 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.799 1.24 . . . . 0.0 112.32 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.7 ptp -63.2 -33.64 75.92 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.177 0.444 . . . . 0.0 112.005 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -71.99 -50.68 26.66 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.782 0.433 . . . . 0.0 109.854 175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.194 0 CA-C-O 117.23 -1.872 . . . . 0.0 108.95 -177.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 111.682 0.252 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -63.41 123.56 19.04 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 170.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.5 m -62.94 -45.13 93.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.845 0.858 . . . . 0.0 110.63 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -89.87 63.92 6.2 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 123.619 0.768 . . . . 0.0 109.642 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -124.79 -47.51 1.81 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 126.226 1.81 . . . . 0.0 109.349 -177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -148.93 168.23 23.63 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.943 1.297 . . . . 0.0 109.276 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.0 -34.44 59.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.254 0.622 . . . . 0.0 110.874 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.67 -49.66 67.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.764 0.826 . . . . 0.0 110.433 175.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -51.72 68.49 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 122.743 0.417 . . . . 0.0 110.915 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.73 -50.46 73.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.672 1.189 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.5 ttt-85 -52.53 -55.87 19.18 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.981 1.313 . . . . 0.0 111.529 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.67 -42.13 82.61 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.905 0.482 . . . . 0.0 111.353 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.15 -45.4 87.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.911 0.885 . . . . 0.0 111.234 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.8 ttp -61.45 -48.86 79.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 124.623 1.169 . . . . 0.0 110.019 175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -84.05 52.61 2.35 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.73 0.812 . . . . 0.0 110.548 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.145 -1.919 . . . . 0.0 111.087 179.127 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.672 0.273 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -81.96 60.36 4.77 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.153 0.981 . . . . 0.0 109.97 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m -83.97 57.98 4.46 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.285 1.034 . . . . 0.0 110.319 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -132.77 39.05 3.36 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.769 0.828 . . . . 0.0 109.684 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.72 -39.31 20.28 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.425 1.09 . . . . 0.0 109.394 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -154.98 165.14 37.67 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.118 1.367 . . . . 0.0 108.903 174.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.5 p -58.88 -42.06 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.1 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.31 -47.12 87.41 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.736 0.814 . . . . 0.0 111.148 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -44.34 94.65 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 122.926 0.491 . . . . 0.0 111.182 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.33 -52.18 66.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.792 0.837 . . . . 0.0 110.244 177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -54.67 -50.79 67.36 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.809 0.843 . . . . 0.0 111.392 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -55.34 34.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.105 0.562 . . . . 0.0 109.527 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.1 t -57.81 -51.55 69.13 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.406 1.482 . . . . 0.0 112.211 -174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 ptm -63.04 -38.23 90.34 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.138 0.426 . . . . 0.0 111.094 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -94.8 49.25 1.23 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.547 0.739 . . . . 0.0 110.307 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 117.206 -1.885 . . . . 0.0 111.423 176.822 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.68 0.276 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -157.19 141.99 16.82 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.741 1.217 . . . . 0.0 108.094 -178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.1 m -60.38 -45.74 92.46 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.314 0.646 . . . . 0.0 109.321 171.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -89.38 47.54 1.5 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.159 0.584 . . . . 0.0 110.662 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -87.0 -43.88 12.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.629 1.172 . . . . 0.0 108.99 169.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.3 p -154.96 171.44 19.71 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.214 1.406 . . . . 0.0 108.966 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -61.61 -39.89 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 122.853 0.461 . . . . 0.0 110.503 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.39 75.5 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.686 0.794 . . . . 0.0 110.708 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.32 97.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.107 0.563 . . . . 0.0 111.086 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.39 -51.81 66.09 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.528 0.731 . . . . 0.0 109.718 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -54.41 -50.97 66.34 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.705 0.802 . . . . 0.0 111.072 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -57.82 -51.98 67.36 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.112 0.565 . . . . 0.0 110.792 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.0 t -56.83 -48.19 78.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.682 1.193 . . . . 0.0 111.628 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.6 ttt -58.34 -50.08 74.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.637 1.575 . . . . 0.0 110.877 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -70.44 -37.63 74.4 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.434 0.694 . . . . 0.0 110.885 -177.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 CA-C-O 117.337 -1.813 . . . . 0.0 109.555 179.226 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.425 0.155 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -79.37 156.23 28.05 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.62 0.768 . . . . 0.0 110.224 -174.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.4 m -80.07 63.97 4.75 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.175 0.99 . . . . 0.0 111.013 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -136.89 25.6 3.04 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.067 0.947 . . . . 0.0 111.071 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.33 -32.38 66.46 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.186 0.595 . . . . 0.0 111.06 175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -156.73 164.94 37.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.283 1.033 . . . . 0.0 109.609 176.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.78 -34.93 71.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 123.457 0.703 . . . . 0.0 110.924 174.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.51 -48.84 68.48 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.763 0.825 . . . . 0.0 110.407 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.46 -50.29 74.25 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.911 0.484 . . . . 0.0 110.505 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.24 -52.64 58.32 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.996 0.919 . . . . 0.0 110.618 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -54.99 -53.64 53.09 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.74 1.216 . . . . 0.0 111.775 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -71.64 -40.15 69.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.339 0.656 . . . . 0.0 111.854 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.43 -43.3 96.9 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.255 0.622 . . . . 0.0 110.85 176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.8 ttp -69.8 -60.76 2.11 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.791 1.236 . . . . 0.0 111.051 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -82.18 -66.89 0.83 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 122.901 0.48 . . . . 0.0 110.872 -174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 CA-C-O 116.955 -2.025 . . . . 0.0 109.529 -176.911 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.315 0.117 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -82.66 93.08 7.28 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -67.07 -43.27 83.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.333 1.053 . . . . 0.0 111.093 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -89.72 88.53 7.41 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.913 0.885 . . . . 0.0 110.43 -171.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -150.18 -38.52 0.14 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.041 1.337 . . . . 0.0 110.74 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -146.88 163.46 36.03 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.536 1.135 . . . . 0.0 109.542 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.06 -45.64 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 C-N-CA 123.701 0.8 . . . . 0.0 109.283 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.26 -48.4 81.77 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.002 0.921 . . . . 0.0 111.587 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.19 82.55 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.933 0.493 . . . . 0.0 111.123 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.6 -52.97 63.27 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.271 1.028 . . . . 0.0 109.621 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -54.22 -51.01 65.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.47 1.508 . . . . 0.0 111.572 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 tpm_? -61.37 -44.26 97.47 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.113 0.565 . . . . 0.0 110.437 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.1 t -61.33 -51.21 69.79 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.481 0.712 . . . . 0.0 112.249 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.3 ptm -66.99 -34.43 77.73 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.132 0.424 . . . . 0.0 111.61 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -64.47 -48.18 76.23 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 171.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.421 -1.766 . . . . 0.0 109.261 -179.451 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -69.24 148.01 50.42 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.473 0.709 . . . . 0.0 110.283 172.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.5 m -83.18 58.46 4.46 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.545 0.738 . . . . 0.0 111.252 -175.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -142.87 50.17 1.45 Allowed 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.545 1.138 . . . . 0.0 109.065 177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -88.7 -43.11 11.55 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.41 1.084 . . . . 0.0 109.382 173.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -153.43 165.04 37.05 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.115 1.366 . . . . 0.0 108.604 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.28 -36.02 61.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 122.95 0.5 . . . . 0.0 110.482 172.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -57.25 12.75 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.229 0.612 . . . . 0.0 110.118 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.2 -43.5 78.57 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.024 0.53 . . . . 0.0 111.498 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tt -52.9 -54.99 26.65 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.536 1.134 . . . . 0.0 109.543 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -56.32 -51.63 67.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.601 0.76 . . . . 0.0 112.194 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.73 -52.75 62.83 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 119.0 0.818 . . . . 0.0 110.928 178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.4 t -58.09 -44.66 87.72 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.317 1.047 . . . . 0.0 111.639 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.4 ttp -61.62 -45.26 94.85 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.473 1.109 . . . . 0.0 110.456 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -85.83 46.53 1.33 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.025 0.93 . . . . 0.0 110.458 176.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.15 0 CA-C-O 117.159 -1.912 . . . . 0.0 110.849 -178.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 111.209 0.077 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -81.91 65.4 7.03 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.843 0.857 . . . . 0.0 109.388 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.95 -31.31 72.45 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.042 0.937 . . . . 0.0 112.331 -176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -89.02 60.36 5.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.748 0.819 . . . . 0.0 109.143 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -118.28 -33.94 4.23 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.13 1.772 . . . . 0.0 110.586 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -150.4 162.22 40.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.538 1.135 . . . . 0.0 109.203 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.14 -40.78 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 123.264 0.625 . . . . 0.0 110.635 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.66 68.11 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.626 0.77 . . . . 0.0 110.796 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.44 -49.92 74.69 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.397 0.679 . . . . 0.0 110.853 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.55 -58.59 6.88 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.6 1.16 . . . . 0.0 109.917 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -53.12 -55.3 25.05 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 123.779 0.832 . . . . 0.0 111.664 -176.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm-85 -67.14 -39.06 86.49 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.817 0.735 . . . . 0.0 112.838 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.4 t -54.45 -41.98 70.07 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.992 0.517 . . . . 0.0 111.241 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 mmt -65.81 -57.36 8.14 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 169.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -89.82 62.82 5.86 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.157 1.383 . . . . 0.0 109.448 -170.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.236 -1.869 . . . . 0.0 110.664 -178.041 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.916 0.388 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -78.45 61.22 2.8 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.427 1.091 . . . . 0.0 110.441 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -59.15 -50.53 73.7 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.389 1.076 . . . . 0.0 111.345 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -89.46 60.38 5.17 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.456 0.702 . . . . 0.0 109.406 -172.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.86 -45.26 1.29 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.197 1.799 . . . . 0.0 109.265 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -139.86 162.78 34.34 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.553 1.141 . . . . 0.0 109.773 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.4 t -60.72 -42.36 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 C-N-CA 123.907 0.883 . . . . 0.0 109.697 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.96 90.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.874 0.869 . . . . 0.0 111.423 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -41.01 87.47 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.936 0.494 . . . . 0.0 111.502 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.52 -50.93 69.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.882 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -52.62 -50.74 62.52 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.174 1.39 . . . . 0.0 110.424 174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -56.91 -42.16 79.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.624 0.77 . . . . 0.0 111.45 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -48.73 47.37 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.458 1.103 . . . . 0.0 111.007 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtt -67.17 -55.66 13.18 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 109.885 177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -100.26 68.39 1.42 Allowed 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.901 0.88 . . . . 0.0 110.628 -169.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.175 -1.903 . . . . 0.0 111.328 174.633 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.444 0.164 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -70.91 150.98 45.19 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.304 0.642 . . . . 0.0 109.64 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.7 m -79.17 68.35 5.12 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.289 1.035 . . . . 0.0 111.429 -173.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -144.25 51.52 1.29 Allowed 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 124.372 1.069 . . . . 0.0 109.657 173.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -82.92 -44.21 15.61 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.475 1.11 . . . . 0.0 109.203 172.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -155.67 173.5 16.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 125.177 1.391 . . . . 0.0 109.251 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.61 -38.94 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.266 0.627 . . . . 0.0 110.748 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.09 86.31 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.7 0.8 . . . . 0.0 110.541 176.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.34 -52.11 64.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.276 -0.392 . . . . 0.0 111.082 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.71 -43.91 95.2 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.523 -174.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt85 -67.9 -46.29 72.03 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.125 0.42 . . . . 0.0 110.748 -177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -67.08 -39.65 86.84 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 119.349 -0.358 . . . . 0.0 111.602 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.19 -47.06 87.56 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.107 0.563 . . . . 0.0 110.551 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 29.0 ttp -58.74 -48.97 79.34 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.432 1.093 . . . . 0.0 111.518 177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -71.61 -35.23 70.41 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.257 0.623 . . . . 0.0 112.015 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.199 0 CA-C-O 117.142 -1.921 . . . . 0.0 109.331 -171.617 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -148.68 158.22 43.99 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.84 0.856 . . . . 0.0 109.718 -177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -64.63 -50.08 68.55 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.977 0.911 . . . . 0.0 109.656 173.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -89.06 70.3 8.45 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -127.39 -47.2 1.45 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.597 1.959 . . . . 0.0 108.975 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -146.71 165.78 28.59 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 125.336 1.455 . . . . 0.0 108.544 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.38 -40.03 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 122.661 0.384 . . . . 0.0 110.485 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.57 -51.31 69.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.86 0.864 . . . . 0.0 110.743 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -42.16 97.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.088 0.555 . . . . 0.0 111.468 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.95 -57.0 13.38 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.004 0.922 . . . . 0.0 109.45 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -48.16 -61.71 1.85 Allowed 'General case' 0 C--N 1.341 0.236 0 C-N-CA 125.078 1.351 . . . . 0.0 110.671 176.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -46.22 -50.2 16.15 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.293 1.437 . . . . 0.0 111.641 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.5 t -63.33 -63.14 1.27 Allowed 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.094 0.958 . . . . 0.0 111.993 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.07 64.11 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.681 0.673 . . . . 0.0 112.701 -169.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -67.5 -45.34 76.11 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.192 0.451 . . . . 0.0 109.906 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.078 -1.957 . . . . 0.0 110.044 -179.118 . . . . . . . . 0 0 . 1 stop_ save_